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

C13H11ClN4 — CID 63723648

IUPAC4-chloro-2-(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)aniline
SMILESCc1ccnc2nc(-c3cc(Cl)ccc3N)[nH]c12
InChIInChI=1S/C13H11ClN4/c1-7-4-5-16-13-11(7)17-12(18-13)9-6-8(14)2-3-10(9)15/h2-6H,15H2,1H3,(H,16,17,18)
InChIKeyRINLDZAWBCPVOU-UHFFFAOYSA-N
MW258.71 g/mol
LogP3.17
Rot. Bonds1

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

4-chloro-2-(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)aniline (PubChem CID 63723648) has the molecular formula C13H11ClN4 and a molecular weight of 258.71 g/mol. Its IUPAC name is 4-chloro-2-(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)aniline.

Molecular Properties

Compound Name4-chloro-2-(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)aniline
PubChem CID63723648
Molecular FormulaC13H11ClN4
Molecular Weight258.71 g/mol
Exact Mass258.07
IUPAC Name4-chloro-2-(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)aniline
SMILESCc1ccnc2nc(-c3cc(Cl)ccc3N)[nH]c12
InChIInChI=1S/C13H11ClN4/c1-7-4-5-16-13-11(7)17-12(18-13)9-6-8(14)2-3-10(9)15/h2-6H,15H2,1H3,(H,16,17,18)
InChIKeyRINLDZAWBCPVOU-UHFFFAOYSA-N
XLogP3.17
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.71
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)aniline?
The IUPAC name of 4-chloro-2-(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)aniline (CID 63723648) is 4-chloro-2-(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)aniline.
What is the SMILES notation for 4-chloro-2-(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)aniline?
The canonical SMILES for 4-chloro-2-(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)aniline is Cc1ccnc2nc(-c3cc(Cl)ccc3N)[nH]c12.
What is the InChIKey of 4-chloro-2-(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)aniline?
The InChIKey is RINLDZAWBCPVOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4/c1-7-4-5-16-13-11(7)17-12(18-13)9-6-8(14)2-3-10(9)15/h2-6H,15H2,1H3,(H,16,17,18).
What are the key properties of 4-chloro-2-(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)aniline?
4-chloro-2-(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)aniline has a molecular weight of 258.71 g/mol, XLogP of 3.17, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)aniline is sourced from PubChem (CID 63723648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).