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

C14H13ClN4 — CID 79289197

IUPAC2-(2-chloroethyl)-3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine
SMILESClCCc1nc2cccnc2n1Cc1ccccn1
InChIInChI=1S/C14H13ClN4/c15-7-6-13-18-12-5-3-9-17-14(12)19(13)10-11-4-1-2-8-16-11/h1-5,8-9H,6-7,10H2
InChIKeyVJURQNOOPZNILX-UHFFFAOYSA-N
MW272.74 g/mol
LogP2.66
Rot. Bonds4

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

2-(2-chloroethyl)-3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine (PubChem CID 79289197) has the molecular formula C14H13ClN4 and a molecular weight of 272.74 g/mol. Its IUPAC name is 2-(2-chloroethyl)-3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(2-chloroethyl)-3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine
PubChem CID79289197
Molecular FormulaC14H13ClN4
Molecular Weight272.74 g/mol
Exact Mass272.08
IUPAC Name2-(2-chloroethyl)-3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine
SMILESClCCc1nc2cccnc2n1Cc1ccccn1
InChIInChI=1S/C14H13ClN4/c15-7-6-13-18-12-5-3-9-17-14(12)19(13)10-11-4-1-2-8-16-11/h1-5,8-9H,6-7,10H2
InChIKeyVJURQNOOPZNILX-UHFFFAOYSA-N
XLogP2.66
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.74
LogP ≤ 52.66
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-(2-chloroethyl)-3-[(3-methyl-4-pyridinyl)methyl]imidazo[4,5-b]pyridine
CID 114701242
5-[[2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]methyl]-4-methyl-1,3-thiazole
CID 79294247
4-[[2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]methyl]-3,5-dimethyl-1,2-oxazole
CID 79294186
2-(2-chloroethyl)-3-(2-pyrrolidin-1-ylethyl)imidazo[4,5-b]pyridine
CID 79294892
2-(2-chloroethyl)-5-methyl-3-(2-pyridin-2-ylethyl)imidazo[4,5-b]pyridine
CID 81141067
2-[(1-benzylpiperidin-4-yl)methyl]-3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine
CID 14013366
5-bromo-2-(2-chloroethyl)-6-fluoro-1-(pyridin-2-ylmethyl)benzimidazole
CID 66088069
2-(2-chloroethyl)-3-[2-(trifluoromethylsulfanyl)ethyl]imidazo[4,5-b]pyridine
CID 106431903
2-(2-chloroethyl)-3-(cyclohexylmethyl)imidazo[4,5-b]pyridine
CID 79294577
2-(2-chloroethyl)-3-(3-methylsulfanylpropyl)imidazo[4,5-b]pyridine
CID 79294900
3-[2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]propanamide
CID 79294938
2-(2-chloroethyl)-3-(2-methyl-3-methylsulfanylpropyl)imidazo[4,5-b]pyridine
CID 79295045

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine?
The IUPAC name of 2-(2-chloroethyl)-3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine (CID 79289197) is 2-(2-chloroethyl)-3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(2-chloroethyl)-3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(2-chloroethyl)-3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine is ClCCc1nc2cccnc2n1Cc1ccccn1.
What is the InChIKey of 2-(2-chloroethyl)-3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine?
The InChIKey is VJURQNOOPZNILX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4/c15-7-6-13-18-12-5-3-9-17-14(12)19(13)10-11-4-1-2-8-16-11/h1-5,8-9H,6-7,10H2.
What are the key properties of 2-(2-chloroethyl)-3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine?
2-(2-chloroethyl)-3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine has a molecular weight of 272.74 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 79289197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).