ISDA: 5J7Q

Atom Indices

Bond Indices

Highlight Substructure

Structural Complex

Chemical ID: 6H2

IUPAC Name: 4-(imidazo[1,2-a]pyridin-2-yl)benzene-1,2-diol

Formal Charge: 0

Type: NON-POLYMER

Substructure

Substruture Type: MurckoScaffold

SMILES: c1ccc(-c2cn3ccccc3n2)cc1

InChI: InChI=1S/C13H10N2/c1-2-6-11(7-3-1)12-10-15-9-5-4-8-13(15)14-12/h1-10H

InChI Key: KDHWCFCNNGUJCP-UHFFFAOYSA-N

Physiochemical Descriptor:

Formula: C13 H10 N2 O2

Molecular weight: 226.231

Hydrogen Bond Acceptor: 4

Hydrogen Bond Donor: 2

Rotatable Bonds: 3

Heavy Atoms: 17

Systematic name

Program	Version	Descriptor
ACDLabs	12.01	4-(imidazo[1,2-a]pyridin-2-yl)benzene-1,2-diol
OpenEye OEToolkits	2.0.4	4-imidazo[1,2-a]pyridin-2-ylbenzene-1,2-diol

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c3(c1cn2c(n1)cccc2)cc(c(cc3)O)O
InChI	InChI	1.03	InChI=1S/C13H10N2O2/c16-11-5-4-9(7-12(11)17)10-8-15-6-2-1-3-13(15)14-10/h1-8,16-17H
InChIKey	InChI	1.03	JFYGSKNPLRBMMG-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Oc1ccc(cc1O)c2cn3ccccc3n2
SMILES	CACTVS	3.385	Oc1ccc(cc1O)c2cn3ccccc3n2
SMILES_CANONICAL	OpenEye OEToolkits	2.0.4	c1ccn2cc(nc2c1)c3ccc(c(c3)O)O
SMILES	OpenEye OEToolkits	2.0.4	c1ccn2cc(nc2c1)c3ccc(c(c3)O)O

Chemical Database Mapping