2-(1-chloroethyl)-5-methyl-3-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridine

C15H15ClN4 — CID 81136372

IUPAC2-(1-chloroethyl)-5-methyl-3-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridine
SMILESCc1ccc2nc(C(C)Cl)n(Cc3cccnc3)c2n1
InChIInChI=1S/C15H15ClN4/c1-10-5-6-13-15(18-10)20(14(19-13)11(2)16)9-12-4-3-7-17-8-12/h3-8,11H,9H2,1-2H3
InChIKeyHBFUSULEOXQOIA-UHFFFAOYSA-N
MW286.77 g/mol
LogP3.48
Rot. Bonds3

About 2-(1-chloroethyl)-5-methyl-3-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridine

2-(1-chloroethyl)-5-methyl-3-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridine (PubChem CID 81136372) has the molecular formula C15H15ClN4 and a molecular weight of 286.77 g/mol. Its IUPAC name is 2-(1-chloroethyl)-5-methyl-3-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(1-chloroethyl)-5-methyl-3-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridine
PubChem CID81136372
Molecular FormulaC15H15ClN4
Molecular Weight286.77 g/mol
Exact Mass286.10
IUPAC Name2-(1-chloroethyl)-5-methyl-3-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridine
SMILESCc1ccc2nc(C(C)Cl)n(Cc3cccnc3)c2n1
InChIInChI=1S/C15H15ClN4/c1-10-5-6-13-15(18-10)20(14(19-13)11(2)16)9-12-4-3-7-17-8-12/h3-8,11H,9H2,1-2H3
InChIKeyHBFUSULEOXQOIA-UHFFFAOYSA-N
XLogP3.48
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.77
LogP ≤ 53.48
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-(1-chloroethyl)-5-methyl-3-(2-pyridin-3-ylethyl)imidazo[4,5-b]pyridine
CID 81141754
2-(1-chloroethyl)-5-methyl-3-(pyridin-4-ylmethyl)imidazo[4,5-b]pyridine
CID 81135454
2-(1-chloroethyl)-7-methyl-1-(pyridin-3-ylmethyl)benzimidazole
CID 115552765
6-bromo-2-(1-chloroethyl)-3-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridine
CID 79302307
2-(1-chloroethyl)-5-methyl-3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine
CID 81135521
2-(1-chloroethyl)-3-(pyridin-3-ylmethyl)benzimidazole-5-carbonitrile
CID 104715308
2-(1-chloroethyl)-1-[(6-methyl-3-pyridinyl)methyl]imidazo[4,5-c]pyridine
CID 79292472
5-chloro-2-methyl-3-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridine
CID 24904011
4-[[2-(1-chloroethyl)-5-methylimidazo[4,5-b]pyridin-3-yl]methyl]-2-methyl-1,3-thiazole
CID 81135612
2-(1-chloroethyl)-3-[(5-methylpyrazin-2-yl)methyl]imidazo[4,5-b]pyridine
CID 79294675
2-(1-chloroethyl)-1-[(6-methyl-2-pyridinyl)methyl]imidazo[4,5-c]pyridine
CID 79292047
7-chloro-2-(1-chloroethyl)-1-(2-pyridin-3-ylethyl)benzimidazole
CID 60914806

Frequently Asked Questions

What is the IUPAC name of 2-(1-chloroethyl)-5-methyl-3-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridine?
The IUPAC name of 2-(1-chloroethyl)-5-methyl-3-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridine (CID 81136372) is 2-(1-chloroethyl)-5-methyl-3-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(1-chloroethyl)-5-methyl-3-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(1-chloroethyl)-5-methyl-3-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridine is Cc1ccc2nc(C(C)Cl)n(Cc3cccnc3)c2n1.
What is the InChIKey of 2-(1-chloroethyl)-5-methyl-3-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridine?
The InChIKey is HBFUSULEOXQOIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4/c1-10-5-6-13-15(18-10)20(14(19-13)11(2)16)9-12-4-3-7-17-8-12/h3-8,11H,9H2,1-2H3.
What are the key properties of 2-(1-chloroethyl)-5-methyl-3-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridine?
2-(1-chloroethyl)-5-methyl-3-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridine has a molecular weight of 286.77 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-chloroethyl)-5-methyl-3-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 81136372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).