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Ethyl 4-hydroxy-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylate

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Name

Ethyl 4-hydroxy-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylate

EINECS N/A
CAS No. 187724-99-8 Density 1.468 g/cm3
PSA 88.10000 LogP 0.84020
Solubility N/A Melting Point N/A
Formula C9H9N3O3 Boiling Point N/A
Molecular Weight 207.189 Flash Point N/A
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 187724-99-8 (ethyl 4-hydroxy-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylate) Hazard Symbols N/A
Synonyms

1H-Pyrrolo[2,3-d]pyrimidine-6-carboxylicacid, 4,7-dihydro-4-oxo-, ethyl ester (9CI);4-Hydroxy-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid ethyl ester;

Article Data 3

Ethyl 4-hydroxy-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylate Specification

The Ethyl 4-hydroxy-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylate, with the CAS registry number 187724-99-8, is also known as 4-Hydroxy-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid ethyl ester. It belongs to the product category of Chiral Chemicals. This chemical's molecular formula is C9H9N3O3 and molecular weight is 207.19. What's more, its its IUPAC name is Ethyl 4-oxo-1,7-dihydropyrrolo[2,3-d]pyrimidine-6-carboxylate and systematic name is called Ethyl 4-hydroxy-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylate.

Physical properties about Ethyl 4-hydroxy-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylate are: (1) ACD/LogP: 0.60; (2) # of Rule of 5 Violations: 0; (3) ACD/BCF (pH 5.5): 1; (4) ACD/BCF (pH 7.4): 1; (5) ACD/KOC (pH 5.5): 1; (6) ACD/KOC (pH 7.4): 1; (7) #H bond acceptors: 6; (8) #H bond donors: 2; (9) #Freely Rotating Bonds: 3; (10) Polar Surface Area: 88.1 Å2; (11) Index of Refraction: 1.674; (12) Molar Refractivity: 52.99 cm3; (13) Molar Volume: 141.1 cm3; (14) Surface Tension: 77.3 dyne/cm; (15) Density: 1.467 g/cm3.

You can still convert the following datas into molecular structure:
(1) SMILES: CCOC(=O)c2cc1c(ncnc1O)n2
(2) InChI: InChI=1/C9H9N3O3/c1-2-15-9(14)6-3-5-7(12-6)10-4-11-8(5)13/h3-4H,2H2,1H3,(H2,10,11,12,13)
(3) InChIKey: RSJUPDUDZRGVRW-UHFFFAOYAC

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