2-(pyridin-3-yl)-1H-1,3-benzodiazole-4-carboxylic acid

2-(pyridin-3-yl)-1H-1,3-benzodiazole-4-carboxylic acid

CAS: 124340-89-2

Formula: C13H9N3O2

SMILES: OC(=O)C1=C2N=C(NC2=CC=C1)C1=CC=CN=C1

IUPAC: 2-(pyridin-3-yl)-1H-1,3-benzodiazole-4-carboxylic acid

InChI: InChI=1S/C13H9N3O2/c17-13(18)9-4-1-5-10-11(9)16-12(15-10)8-3-2-6-14-7-8/h1-7H,(H,15,16)(H,17,18)

Composition: C (65.27%), H (3.79%), N (17.56%), O (13.38%)

Molar Mass: 239.234

Atom Count: 27

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	239.069476542
Formal Charge	0
FSP3	0
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	JORAKCUOJBWTKP-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	75.17
Topological Polar Surface Area	78.87
Polarizability	26.35
Ring Count	3
Rotatable Bond Count	2

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<5 Days	124340-89-2		$1,700.00-$2,970.00$1,700.00$2,120.00$2,970.00