2-(1-chloroethyl)-3-phenylimidazo[4,5-b]pyridine

C14H12ClN3 — CID 79290021

IUPAC2-(1-chloroethyl)-3-phenylimidazo[4,5-b]pyridine
SMILESCC(Cl)c1nc2cccnc2n1-c1ccccc1
InChIInChI=1S/C14H12ClN3/c1-10(15)13-17-12-8-5-9-16-14(12)18(13)11-6-3-2-4-7-11/h2-10H,1H3
InChIKeyYGOQCXWMUFUDTC-UHFFFAOYSA-N
MW257.72 g/mol
LogP3.72
Rot. Bonds2

About 2-(1-chloroethyl)-3-phenylimidazo[4,5-b]pyridine

2-(1-chloroethyl)-3-phenylimidazo[4,5-b]pyridine (PubChem CID 79290021) has the molecular formula C14H12ClN3 and a molecular weight of 257.72 g/mol. Its IUPAC name is 2-(1-chloroethyl)-3-phenylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(1-chloroethyl)-3-phenylimidazo[4,5-b]pyridine
PubChem CID79290021
Molecular FormulaC14H12ClN3
Molecular Weight257.72 g/mol
Exact Mass257.07
IUPAC Name2-(1-chloroethyl)-3-phenylimidazo[4,5-b]pyridine
SMILESCC(Cl)c1nc2cccnc2n1-c1ccccc1
InChIInChI=1S/C14H12ClN3/c1-10(15)13-17-12-8-5-9-16-14(12)18(13)11-6-3-2-4-7-11/h2-10H,1H3
InChIKeyYGOQCXWMUFUDTC-UHFFFAOYSA-N
XLogP3.72
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(1-chloroethyl)-3-(4-propylphenyl)imidazo[4,5-b]pyridine
CID 79274024
[(1S)-1-(3-phenylimidazo[4,5-b]pyridin-2-yl)ethyl]carbamic acid
CID 141346036
3-(4-methoxyphenyl)-2-propan-2-ylimidazo[4,5-b]pyridine
CID 117166531
2-(1-chloroethyl)-3-(2-phenylethyl)imidazo[4,5-b]pyridine
CID 79289928
[(1S)-1-[3-(4-chlorophenyl)imidazo[4,5-b]pyridin-2-yl]ethyl]carbamic acid
CID 141346004
2-(1-chloroethyl)-3-(1-phenylpropyl)imidazo[4,5-b]pyridine
CID 79273265
4-(2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)benzonitrile
CID 59706942
3-chloro-4-[2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]benzonitrile
CID 107809217
3-phenyl-2-[2,4,5-tris(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-b]pyridine
CID 20606867
5-bromo-2-[2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]benzonitrile
CID 82694229
2-(1-chloroethyl)-3-(2-methylbutyl)imidazo[4,5-b]pyridine
CID 79295037
2-(2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)phenol
CID 117166519

Frequently Asked Questions

What is the IUPAC name of 2-(1-chloroethyl)-3-phenylimidazo[4,5-b]pyridine?
The IUPAC name of 2-(1-chloroethyl)-3-phenylimidazo[4,5-b]pyridine (CID 79290021) is 2-(1-chloroethyl)-3-phenylimidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(1-chloroethyl)-3-phenylimidazo[4,5-b]pyridine?
The canonical SMILES for 2-(1-chloroethyl)-3-phenylimidazo[4,5-b]pyridine is CC(Cl)c1nc2cccnc2n1-c1ccccc1.
What is the InChIKey of 2-(1-chloroethyl)-3-phenylimidazo[4,5-b]pyridine?
The InChIKey is YGOQCXWMUFUDTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3/c1-10(15)13-17-12-8-5-9-16-14(12)18(13)11-6-3-2-4-7-11/h2-10H,1H3.
What are the key properties of 2-(1-chloroethyl)-3-phenylimidazo[4,5-b]pyridine?
2-(1-chloroethyl)-3-phenylimidazo[4,5-b]pyridine has a molecular weight of 257.72 g/mol, XLogP of 3.72, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-chloroethyl)-3-phenylimidazo[4,5-b]pyridine is sourced from PubChem (CID 79290021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).