2-(chloromethyl)-3-(3,4-dimethylphenyl)imidazo[4,5-b]pyridine

C15H14ClN3 — CID 79293048

IUPAC2-(chloromethyl)-3-(3,4-dimethylphenyl)imidazo[4,5-b]pyridine
SMILESCc1ccc(-n2c(CCl)nc3cccnc32)cc1C
InChIInChI=1S/C15H14ClN3/c1-10-5-6-12(8-11(10)2)19-14(9-16)18-13-4-3-7-17-15(13)19/h3-8H,9H2,1-2H3
InChIKeyLPVXNIVRYVTGBU-UHFFFAOYSA-N
MW271.75 g/mol
LogP3.78
Rot. Bonds2

About 2-(chloromethyl)-3-(3,4-dimethylphenyl)imidazo[4,5-b]pyridine

2-(chloromethyl)-3-(3,4-dimethylphenyl)imidazo[4,5-b]pyridine (PubChem CID 79293048) has the molecular formula C15H14ClN3 and a molecular weight of 271.75 g/mol. Its IUPAC name is 2-(chloromethyl)-3-(3,4-dimethylphenyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(chloromethyl)-3-(3,4-dimethylphenyl)imidazo[4,5-b]pyridine
PubChem CID79293048
Molecular FormulaC15H14ClN3
Molecular Weight271.75 g/mol
Exact Mass271.09
IUPAC Name2-(chloromethyl)-3-(3,4-dimethylphenyl)imidazo[4,5-b]pyridine
SMILESCc1ccc(-n2c(CCl)nc3cccnc32)cc1C
InChIInChI=1S/C15H14ClN3/c1-10-5-6-12(8-11(10)2)19-14(9-16)18-13-4-3-7-17-15(13)19/h3-8H,9H2,1-2H3
InChIKeyLPVXNIVRYVTGBU-UHFFFAOYSA-N
XLogP3.78
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 53.78
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-(chloromethyl)-3-(3-fluoro-4-methylphenyl)imidazo[4,5-b]pyridine
CID 79290101
[3-(3,4-dimethylphenyl)imidazo[4,5-b]pyridin-2-yl]methanamine
CID 82481510
2-[3-(3,4-dimethylphenyl)imidazo[4,5-b]pyridin-2-yl]ethanamine
CID 82487047
2-(2-chloroethyl)-3-(4-methoxy-3-methylphenyl)imidazo[4,5-b]pyridine
CID 79274031
2-(chloromethyl)-3-(4-fluorophenyl)imidazo[4,5-b]pyridine
CID 79289700
2-(chloromethyl)-1-(3,4-dimethylphenyl)benzimidazole
CID 29075929
2-(chloromethyl)-3-(5-chloro-2-methylphenyl)imidazo[4,5-b]pyridine
CID 79289697
2-(chloromethyl)-3-(2-methylphenyl)imidazo[4,5-b]pyridine
CID 79295003
2-(chloromethyl)-3-(3-iodo-2-methylphenyl)imidazo[4,5-b]pyridine
CID 114257731
2-(2-chloroethyl)-3-(3,4-dimethylphenyl)-6-methylimidazo[4,5-b]pyridine
CID 79279456
3-(4-methylphenyl)-2-[[3-(4-methylphenyl)imidazo[4,5-b]pyridin-2-yl]methoxymethyl]imidazo[4,5-b]pyridine
CID 20955885
2-(chloromethyl)-3-(2,4-difluorophenyl)imidazo[4,5-b]pyridine
CID 79289374

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-3-(3,4-dimethylphenyl)imidazo[4,5-b]pyridine?
The IUPAC name of 2-(chloromethyl)-3-(3,4-dimethylphenyl)imidazo[4,5-b]pyridine (CID 79293048) is 2-(chloromethyl)-3-(3,4-dimethylphenyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(chloromethyl)-3-(3,4-dimethylphenyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(chloromethyl)-3-(3,4-dimethylphenyl)imidazo[4,5-b]pyridine is Cc1ccc(-n2c(CCl)nc3cccnc32)cc1C.
What is the InChIKey of 2-(chloromethyl)-3-(3,4-dimethylphenyl)imidazo[4,5-b]pyridine?
The InChIKey is LPVXNIVRYVTGBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3/c1-10-5-6-12(8-11(10)2)19-14(9-16)18-13-4-3-7-17-15(13)19/h3-8H,9H2,1-2H3.
What are the key properties of 2-(chloromethyl)-3-(3,4-dimethylphenyl)imidazo[4,5-b]pyridine?
2-(chloromethyl)-3-(3,4-dimethylphenyl)imidazo[4,5-b]pyridine has a molecular weight of 271.75 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-3-(3,4-dimethylphenyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 79293048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).