[3-(3-chloro-2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]methanamine

C14H13ClN4 — CID 96668761

IUPAC[3-(3-chloro-2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]methanamine
SMILESCc1c(Cl)cccc1-n1c(CN)nc2cccnc21
InChIInChI=1S/C14H13ClN4/c1-9-10(15)4-2-6-12(9)19-13(8-16)18-11-5-3-7-17-14(11)19/h2-7H,8,16H2,1H3
InChIKeyQGQZQSVPQSSOQG-UHFFFAOYSA-N
MW272.74 g/mol
LogP2.84
Rot. Bonds2

About [3-(3-chloro-2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]methanamine

[3-(3-chloro-2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]methanamine (PubChem CID 96668761) has the molecular formula C14H13ClN4 and a molecular weight of 272.74 g/mol. Its IUPAC name is [3-(3-chloro-2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]methanamine.

Molecular Properties

Compound Name[3-(3-chloro-2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]methanamine
PubChem CID96668761
Molecular FormulaC14H13ClN4
Molecular Weight272.74 g/mol
Exact Mass272.08
IUPAC Name[3-(3-chloro-2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]methanamine
SMILESCc1c(Cl)cccc1-n1c(CN)nc2cccnc21
InChIInChI=1S/C14H13ClN4/c1-9-10(15)4-2-6-12(9)19-13(8-16)18-11-5-3-7-17-14(11)19/h2-7H,8,16H2,1H3
InChIKeyQGQZQSVPQSSOQG-UHFFFAOYSA-N
XLogP2.84
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.74
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(2,6-dimethylphenyl)imidazo[4,5-b]pyridin-2-yl]methanamine
CID 82481512
2-(chloromethyl)-3-(3-iodo-2-methylphenyl)imidazo[4,5-b]pyridine
CID 114257731
[3-(3,4-dimethylphenyl)imidazo[4,5-b]pyridin-2-yl]methanamine
CID 82481510
2-(chloromethyl)-3-(2-methylphenyl)imidazo[4,5-b]pyridine
CID 79295003
[1-(3-chloro-2-methylphenyl)imidazol-2-yl]methanamine
CID 82286820
[3-[(3-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methanamine
CID 53298848
2-(chloromethyl)-1-(3-chloro-2-methylphenyl)-7-methylbenzimidazole
CID 115552935
2-(2-chloroethyl)-3-(2,6-dichlorophenyl)imidazo[4,5-b]pyridine
CID 79295127
[3-(4-ethoxyphenyl)imidazo[4,5-b]pyridin-2-yl]methanamine
CID 82487584
6-bromo-2-(2-chloroethyl)-3-(3-chloro-2-methylphenyl)imidazo[4,5-b]pyridine
CID 79278415
2-(2-chloroethyl)-3-(2,5-dichloro-4-methylphenyl)imidazo[4,5-b]pyridine
CID 104727613
2-(2-chloroethyl)-3-(2-chloro-4-methylphenyl)imidazo[4,5-b]pyridine
CID 79294784

Frequently Asked Questions

What is the IUPAC name of [3-(3-chloro-2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]methanamine?
The IUPAC name of [3-(3-chloro-2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]methanamine (CID 96668761) is [3-(3-chloro-2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]methanamine.
What is the SMILES notation for [3-(3-chloro-2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]methanamine?
The canonical SMILES for [3-(3-chloro-2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]methanamine is Cc1c(Cl)cccc1-n1c(CN)nc2cccnc21.
What is the InChIKey of [3-(3-chloro-2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]methanamine?
The InChIKey is QGQZQSVPQSSOQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4/c1-9-10(15)4-2-6-12(9)19-13(8-16)18-11-5-3-7-17-14(11)19/h2-7H,8,16H2,1H3.
What are the key properties of [3-(3-chloro-2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]methanamine?
[3-(3-chloro-2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]methanamine has a molecular weight of 272.74 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-chloro-2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]methanamine is sourced from PubChem (CID 96668761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).