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Cas Database |
| Name |
7-Chloro-1,5-naphthyridin-2(1H)-one |
EINECS | N/A |
| CAS No. | 959616-26-3 | Density | 1.419 g/cm3 |
| PSA | 46.01000 | LogP | 1.98880 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C8H5ClN2O | Boiling Point | 385.445 °C at 760 mmHg |
| Molecular Weight | 180.59 | Flash Point | 186.911 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
7-Chloro-1,5-naphthyridin-2(1H)-one; |
Article Data | 2 |
7-Chloro-1,5-naphthyridin-2(1H)-one Specification
The systematic name of 7-Chloro-1,5-naphthyridin-2(1H)-one is 7-Chloro-1H-1,5-naphthyridin-2-one. With the CAS registry number 959616-26-3, it is also named as 7-Chloro-1,5-naphthyridin-2-ol. The product's molecular formula is C8H5ClN2O and its molecular weight is 180.59.
The other characteristics of 7-Chloro-1,5-naphthyridin-2(1H)-one can be summarized as: (1)ACD/LogP: 0.24; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.236; (4)ACD/LogD (pH 7.4): 0.235; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 32.008; (8)ACD/KOC (pH 7.4): 31.978; (9)H bond acceptors: 3; (10)H bond donors: 1; (11)Freely Rotating Bonds: 0; (12)Index of Refraction: 1.616; (13)Molar Refractivity: 44.496 cm3; (14)Molar Volume: 127.261 cm3 ; (15)Surface Tension: 54.79 dyne/cm; (16)Density: 1.419 g/cm3; (17)Flash Point: 186.911 °C; (18)Enthalpy of Vaporization: 63.425 kJ/mol; (19)Boiling Point: 385.445 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES:c1cc(=O)[nH]c2c1ncc(c2)Cl
(2)InChI:InChI=1/C8H5ClN2O/c9-5-3-7-6(10-4-5)1-2-8(12)11-7/h1-4H,(H,11,12)
(3)InChIKey:BDVFBZWLRLNTSH-UHFFFAOYAT
(4)Std. InChI:InChI=1S/C8H5ClN2O/c9-5-3-7-6(10-4-5)1-2-8(12)11-7/h1-4H,(H,11,12)
(5)Std. InChIKey:BDVFBZWLRLNTSH-UHFFFAOYSA-N
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