4-chloro-N-[(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]aniline

C14H13ClN4 — CID 63722472

IUPAC4-chloro-N-[(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]aniline
SMILESCc1ccnc2nc(CNc3ccc(Cl)cc3)[nH]c12
InChIInChI=1S/C14H13ClN4/c1-9-6-7-16-14-13(9)18-12(19-14)8-17-11-4-2-10(15)3-5-11/h2-7,17H,8H2,1H3,(H,16,18,19)
InChIKeyQBRSEMIUKGTUHM-UHFFFAOYSA-N
MW272.74 g/mol
LogP3.53
Rot. Bonds3

About 4-chloro-N-[(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]aniline

4-chloro-N-[(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]aniline (PubChem CID 63722472) has the molecular formula C14H13ClN4 and a molecular weight of 272.74 g/mol. Its IUPAC name is 4-chloro-N-[(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]aniline.

Molecular Properties

Compound Name4-chloro-N-[(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]aniline
PubChem CID63722472
Molecular FormulaC14H13ClN4
Molecular Weight272.74 g/mol
Exact Mass272.08
IUPAC Name4-chloro-N-[(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]aniline
SMILESCc1ccnc2nc(CNc3ccc(Cl)cc3)[nH]c12
InChIInChI=1S/C14H13ClN4/c1-9-6-7-16-14-13(9)18-12(19-14)8-17-11-4-2-10(15)3-5-11/h2-7,17H,8H2,1H3,(H,16,18,19)
InChIKeyQBRSEMIUKGTUHM-UHFFFAOYSA-N
XLogP3.53
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.74
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]aniline?
The IUPAC name of 4-chloro-N-[(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]aniline (CID 63722472) is 4-chloro-N-[(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]aniline.
What is the SMILES notation for 4-chloro-N-[(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]aniline?
The canonical SMILES for 4-chloro-N-[(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]aniline is Cc1ccnc2nc(CNc3ccc(Cl)cc3)[nH]c12.
What is the InChIKey of 4-chloro-N-[(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]aniline?
The InChIKey is QBRSEMIUKGTUHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4/c1-9-6-7-16-14-13(9)18-12(19-14)8-17-11-4-2-10(15)3-5-11/h2-7,17H,8H2,1H3,(H,16,18,19).
What are the key properties of 4-chloro-N-[(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]aniline?
4-chloro-N-[(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]aniline has a molecular weight of 272.74 g/mol, XLogP of 3.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]aniline is sourced from PubChem (CID 63722472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).