ISDA: 28ZI

Atom Indices

Bond Indices

Highlight Substructure

Structural Complex

Chemical ID: A1J1C

IUPAC Name: 2-phenoxypyridine-3-carboxylic acid

Formal Charge: 0

Type: non-polymer

Substructure

Substruture Type: MurckoScaffold

SMILES: c1ccc(Oc2ccccn2)cc1

InChI: InChI=1S/C11H9NO/c1-2-6-10(7-3-1)13-11-8-4-5-9-12-11/h1-9H

InChI Key: MEAAWTRWNWSLPF-UHFFFAOYSA-N

Physiochemical Descriptor:

Formula: C12 H9 N O3

Molecular weight: 215.205

Hydrogen Bond Acceptor: 4

Hydrogen Bond Donor: 1

Rotatable Bonds: 3

Heavy Atoms: 16

Systematic name

Program	Version	Descriptor
OpenEye OEToolkits	2.0.7	2-phenoxypyridine-3-carboxylic acid

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/C12H9NO3/c14-12(15)10-7-4-8-13-11(10)16-9-5-2-1-3-6-9/h1-8H,(H,14,15)
InChIKey	InChI	1.06	CQGAXJGXGLVFGJ-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	OC(=O)c1cccnc1Oc2ccccc2
SMILES	CACTVS	3.385	OC(=O)c1cccnc1Oc2ccccc2
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1ccc(cc1)Oc2c(cccn2)C(=O)O
SMILES	OpenEye OEToolkits	2.0.7	c1ccc(cc1)Oc2c(cccn2)C(=O)O