2-(6-chloro-5-methyl-3-pyridinyl)-3-methylimidazo[4,5-c]pyridine

C13H11ClN4 — CID 167895828

IUPAC2-(6-chloro-5-methyl-3-pyridinyl)-3-methylimidazo[4,5-c]pyridine
SMILESCc1cc(-c2nc3ccncc3n2C)cnc1Cl
InChIInChI=1S/C13H11ClN4/c1-8-5-9(6-16-12(8)14)13-17-10-3-4-15-7-11(10)18(13)2/h3-7H,1-2H3
InChIKeyKGFAFFGWLYSTAC-UHFFFAOYSA-N
MW258.71 g/mol
LogP2.99
Rot. Bonds1

About 2-(6-chloro-5-methyl-3-pyridinyl)-3-methylimidazo[4,5-c]pyridine

2-(6-chloro-5-methyl-3-pyridinyl)-3-methylimidazo[4,5-c]pyridine (PubChem CID 167895828) has the molecular formula C13H11ClN4 and a molecular weight of 258.71 g/mol. Its IUPAC name is 2-(6-chloro-5-methyl-3-pyridinyl)-3-methylimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-(6-chloro-5-methyl-3-pyridinyl)-3-methylimidazo[4,5-c]pyridine
PubChem CID167895828
Molecular FormulaC13H11ClN4
Molecular Weight258.71 g/mol
Exact Mass258.07
IUPAC Name2-(6-chloro-5-methyl-3-pyridinyl)-3-methylimidazo[4,5-c]pyridine
SMILESCc1cc(-c2nc3ccncc3n2C)cnc1Cl
InChIInChI=1S/C13H11ClN4/c1-8-5-9(6-16-12(8)14)13-17-10-3-4-15-7-11(10)18(13)2/h3-7H,1-2H3
InChIKeyKGFAFFGWLYSTAC-UHFFFAOYSA-N
XLogP2.99
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.71
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-5-methyl-3-pyridinyl)-3-methylimidazo[4,5-c]pyridine?
The IUPAC name of 2-(6-chloro-5-methyl-3-pyridinyl)-3-methylimidazo[4,5-c]pyridine (CID 167895828) is 2-(6-chloro-5-methyl-3-pyridinyl)-3-methylimidazo[4,5-c]pyridine.
What is the SMILES notation for 2-(6-chloro-5-methyl-3-pyridinyl)-3-methylimidazo[4,5-c]pyridine?
The canonical SMILES for 2-(6-chloro-5-methyl-3-pyridinyl)-3-methylimidazo[4,5-c]pyridine is Cc1cc(-c2nc3ccncc3n2C)cnc1Cl.
What is the InChIKey of 2-(6-chloro-5-methyl-3-pyridinyl)-3-methylimidazo[4,5-c]pyridine?
The InChIKey is KGFAFFGWLYSTAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4/c1-8-5-9(6-16-12(8)14)13-17-10-3-4-15-7-11(10)18(13)2/h3-7H,1-2H3.
What are the key properties of 2-(6-chloro-5-methyl-3-pyridinyl)-3-methylimidazo[4,5-c]pyridine?
2-(6-chloro-5-methyl-3-pyridinyl)-3-methylimidazo[4,5-c]pyridine has a molecular weight of 258.71 g/mol, XLogP of 2.99, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-5-methyl-3-pyridinyl)-3-methylimidazo[4,5-c]pyridine is sourced from PubChem (CID 167895828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).