Basic Information | Post buying leads | Suppliers |
Name |
5-(1H-Pyrrol-1-yl)nicotinic acid |
EINECS | N/A |
CAS No. | 690632-31-6 | Density | 1.28 g/cm3 |
PSA | 55.12000 | LogP | 1.57050 |
Solubility | N/A | Melting Point |
N/A |
Formula | C10H8N2O2 | Boiling Point | 412.7 °C at 760 mmHg |
Molecular Weight | 188.18 | Flash Point | 203.4 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 26 | Risk Codes | 36 |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
5-Pyrrol-1-yl-nicotinic acid;5-Pyrrolylpyridine-3-carboxylic acid; |
The 5-(1H-Pyrrol-1-yl)nicotinic acid, with the CAS registry number 690632-31-6, is also known as 5-Pyrrol-1-yl-nicotinic acid and 5-Pyrrolylpyridine-3-carboxylic acid. This chemical's molecular formula is C10H8N2O2 and molecular weight is 188.18. What's more, its systematic name is called 5-(1H-Pyrrol-1-yl)pyridine-3-carboxylic acid. It is irritant and may cause inflammation to the skin or other mucous membranes.
Physical properties about 5-(1H-Pyrrol-1-yl)nicotinic acid are: (1)ACD/LogP: 1.01; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.36; (4)ACD/LogD (pH 7.4): -2.11; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 44.12 Å2; (13)Index of Refraction: 1.631; (14)Molar Refractivity: 52.24 cm3; (15)Molar Volume: 146.5 cm3; (16)Polarizability: 20.71×10-24 cm3; (17)Surface Tension: 53.2 dyne/cm; (18)Density: 1.28 g/cm3; (19)Flash Point: 203.4 °C; (20)Enthalpy of Vaporization: 70.15 kJ/mol; (21)Boiling Point: 412.7 °C at 760 mmHg; (22)Vapour Pressure: 1.5E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)c1cncc(c1)n2cccc2
(2) InChI: InChI=1/C10H8N2O2/c13-10(14)8-5-9(7-11-6-8)12-3-1-2-4-12/h1-7H,(H,13,14)
(3) InChIKey: MBHJQDUXANKYCO-UHFFFAOYAL