2-(chloromethyl)-1-(1-pyridin-3-ylethyl)imidazo[4,5-c]pyridine

C14H13ClN4 — CID 79292162

IUPAC2-(chloromethyl)-1-(1-pyridin-3-ylethyl)imidazo[4,5-c]pyridine
SMILESCC(c1cccnc1)n1c(CCl)nc2cnccc21
InChIInChI=1S/C14H13ClN4/c1-10(11-3-2-5-16-8-11)19-13-4-6-17-9-12(13)18-14(19)7-15/h2-6,8-10H,7H2,1H3
InChIKeyXTVPJSZTQQKBAC-UHFFFAOYSA-N
MW272.74 g/mol
LogP3.17
Rot. Bonds3

About 2-(chloromethyl)-1-(1-pyridin-3-ylethyl)imidazo[4,5-c]pyridine

2-(chloromethyl)-1-(1-pyridin-3-ylethyl)imidazo[4,5-c]pyridine (PubChem CID 79292162) has the molecular formula C14H13ClN4 and a molecular weight of 272.74 g/mol. Its IUPAC name is 2-(chloromethyl)-1-(1-pyridin-3-ylethyl)imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-(chloromethyl)-1-(1-pyridin-3-ylethyl)imidazo[4,5-c]pyridine
PubChem CID79292162
Molecular FormulaC14H13ClN4
Molecular Weight272.74 g/mol
Exact Mass272.08
IUPAC Name2-(chloromethyl)-1-(1-pyridin-3-ylethyl)imidazo[4,5-c]pyridine
SMILESCC(c1cccnc1)n1c(CCl)nc2cnccc21
InChIInChI=1S/C14H13ClN4/c1-10(11-3-2-5-16-8-11)19-13-4-6-17-9-12(13)18-14(19)7-15/h2-6,8-10H,7H2,1H3
InChIKeyXTVPJSZTQQKBAC-UHFFFAOYSA-N
XLogP3.17
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.74
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(chloromethyl)-6,7-difluoro-1-(1-pyridin-3-ylethyl)benzimidazole
CID 62533559
2-[1-[2-(chloromethyl)imidazo[4,5-c]pyridin-1-yl]ethyl]-4-methyl-1,3-thiazole
CID 79292830
2-(chloromethyl)-1-(4-methylpentan-2-yl)imidazo[4,5-c]pyridine
CID 79292578
2-(chloromethyl)-1-(1-pyridin-3-ylethyl)benzimidazole-4-carbonitrile
CID 104719380
2-(chloromethyl)-1-[1-(furan-2-yl)propan-2-yl]imidazo[4,5-c]pyridine
CID 79292030
2-(2-chloroethyl)-1-(1-thiophen-2-ylethyl)imidazo[4,5-c]pyridine
CID 79292021
2-(chloromethyl)-5-fluoro-1-(1-phenylethyl)benzimidazole
CID 43660125
2-(chloromethyl)-3-(1-phenylethyl)imidazo[4,5-b]pyridine
CID 79289366
2-(chloromethyl)-1-(4-methylpiperazin-1-yl)imidazo[4,5-c]pyridine
CID 83018792
2-(chloromethyl)-1-(1-cyclohexylpropyl)imidazo[4,5-c]pyridine
CID 79292816
2-(1-chloroethyl)-1-(1-pyridin-4-ylethyl)imidazo[4,5-c]pyridine
CID 79292511
3-butan-2-yl-2-(chloromethyl)imidazo[4,5-c]pyridine
CID 130597335

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-1-(1-pyridin-3-ylethyl)imidazo[4,5-c]pyridine?
The IUPAC name of 2-(chloromethyl)-1-(1-pyridin-3-ylethyl)imidazo[4,5-c]pyridine (CID 79292162) is 2-(chloromethyl)-1-(1-pyridin-3-ylethyl)imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-(chloromethyl)-1-(1-pyridin-3-ylethyl)imidazo[4,5-c]pyridine?
The canonical SMILES for 2-(chloromethyl)-1-(1-pyridin-3-ylethyl)imidazo[4,5-c]pyridine is CC(c1cccnc1)n1c(CCl)nc2cnccc21.
What is the InChIKey of 2-(chloromethyl)-1-(1-pyridin-3-ylethyl)imidazo[4,5-c]pyridine?
The InChIKey is XTVPJSZTQQKBAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4/c1-10(11-3-2-5-16-8-11)19-13-4-6-17-9-12(13)18-14(19)7-15/h2-6,8-10H,7H2,1H3.
What are the key properties of 2-(chloromethyl)-1-(1-pyridin-3-ylethyl)imidazo[4,5-c]pyridine?
2-(chloromethyl)-1-(1-pyridin-3-ylethyl)imidazo[4,5-c]pyridine has a molecular weight of 272.74 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-1-(1-pyridin-3-ylethyl)imidazo[4,5-c]pyridine is sourced from PubChem (CID 79292162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).