Name: Imidazo[1,5-a]pyridine-1-carboxaldehyde (9CI)
SKU: 56671-67-1

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Basic Information

Molecular Structure:
CAS No.:	56671-67-1
Name:	Imidazo[1,5-a]pyridine-1-carboxaldehyde (9CI)

Formula:	C₈H₆N₂O
Molecular Weight:	146.148
Synonyms:	imidazo[1,5-a]pyridine-1-carbaldehyde;
Density:	1.25g/cm³
PSA:	34.37000
LogP:	1.14680

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Specification

The Imidazo[1,5-a]pyridine-1-carboxaldehyde (9CI), with CAS registry number 56671-67-1, has the systematic name of imidazo[1,5-a]pyridine-1-carbaldehyde. This chemical belongs to the following product category: Aldehyde. And the chemical formula of this chemical is C₈H₆N₂O.

Physical properties of Imidazo[1,5-a]pyridine-1-carboxaldehyde (9CI): (1)ACD/LogP: 0.55; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 2; (7)ACD/KOC (pH 5.5): 46; (8)ACD/KOC (pH 7.4): 48; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 34.37 Å²; (13)Index of Refraction: 1.641; (14)Molar Refractivity: 42.174 cm³; (15)Molar Volume: 116.966 cm³; (16)Polarizability: 16.719×10^-24cm³; (17)Surface Tension: 51.396 dyne/cm; (18)Density: 1.25 g/cm³.

You can still convert the following datas into molecular structure:
(1)SMILES: c1ccn2cnc(c2c1)C=O
(2)InChI: InChI=1/C8H6N2O/c11-5-7-8-3-1-2-4-10(8)6-9-7/h1-6H
(3)InChIKey: FBNBTPDUMOHHFF-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C8H6N2O/c11-5-7-8-3-1-2-4-10(8)6-9-7/h1-6H
(5)Std. InChIKey: FBNBTPDUMOHHFF-UHFFFAOYSA-N