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

C14H11ClFN3 — CID 79290101

IUPAC2-(chloromethyl)-3-(3-fluoro-4-methylphenyl)imidazo[4,5-b]pyridine
SMILESCc1ccc(-n2c(CCl)nc3cccnc32)cc1F
InChIInChI=1S/C14H11ClFN3/c1-9-4-5-10(7-11(9)16)19-13(8-15)18-12-3-2-6-17-14(12)19/h2-7H,8H2,1H3
InChIKeyQHBJRJFNMVBSCY-UHFFFAOYSA-N
MW275.71 g/mol
LogP3.61
Rot. Bonds2

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

2-(chloromethyl)-3-(3-fluoro-4-methylphenyl)imidazo[4,5-b]pyridine (PubChem CID 79290101) has the molecular formula C14H11ClFN3 and a molecular weight of 275.71 g/mol. Its IUPAC name is 2-(chloromethyl)-3-(3-fluoro-4-methylphenyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(chloromethyl)-3-(3-fluoro-4-methylphenyl)imidazo[4,5-b]pyridine
PubChem CID79290101
Molecular FormulaC14H11ClFN3
Molecular Weight275.71 g/mol
Exact Mass275.06
IUPAC Name2-(chloromethyl)-3-(3-fluoro-4-methylphenyl)imidazo[4,5-b]pyridine
SMILESCc1ccc(-n2c(CCl)nc3cccnc32)cc1F
InChIInChI=1S/C14H11ClFN3/c1-9-4-5-10(7-11(9)16)19-13(8-15)18-12-3-2-6-17-14(12)19/h2-7H,8H2,1H3
InChIKeyQHBJRJFNMVBSCY-UHFFFAOYSA-N
XLogP3.61
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.71
LogP ≤ 53.61
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-(3,4-dimethylphenyl)imidazo[4,5-b]pyridine
CID 79293048
2-(chloromethyl)-3-(4-fluorophenyl)imidazo[4,5-b]pyridine
CID 79289700
2-(chloromethyl)-3-(5-chloro-2-methylphenyl)imidazo[4,5-b]pyridine
CID 79289697
2-[3-(3,4-dimethylphenyl)imidazo[4,5-b]pyridin-2-yl]ethanamine
CID 82487047
[3-(3,4-dimethylphenyl)imidazo[4,5-b]pyridin-2-yl]methanamine
CID 82481510
2-(chloromethyl)-3-(2-methylphenyl)imidazo[4,5-b]pyridine
CID 79295003
2-(chloromethyl)-3-(2,4-difluorophenyl)imidazo[4,5-b]pyridine
CID 79289374
3-(3-bromo-4-fluorophenyl)-2-(2-chloroethyl)imidazo[4,5-b]pyridine
CID 104780032
2-(2-chloroethyl)-3-(4-methoxy-3-methylphenyl)imidazo[4,5-b]pyridine
CID 79274031
3-(3,4-difluorophenyl)imidazo[4,5-b]pyridin-2-amine
CID 79289903
2-[(2-fluorophenyl)methyl]-3-(4-methylphenyl)imidazo[4,5-b]pyridine
CID 117165326
2-(chloromethyl)-3-(3-iodo-2-methylphenyl)imidazo[4,5-b]pyridine
CID 114257731

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-3-(3-fluoro-4-methylphenyl)imidazo[4,5-b]pyridine?
The IUPAC name of 2-(chloromethyl)-3-(3-fluoro-4-methylphenyl)imidazo[4,5-b]pyridine (CID 79290101) is 2-(chloromethyl)-3-(3-fluoro-4-methylphenyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(chloromethyl)-3-(3-fluoro-4-methylphenyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(chloromethyl)-3-(3-fluoro-4-methylphenyl)imidazo[4,5-b]pyridine is Cc1ccc(-n2c(CCl)nc3cccnc32)cc1F.
What is the InChIKey of 2-(chloromethyl)-3-(3-fluoro-4-methylphenyl)imidazo[4,5-b]pyridine?
The InChIKey is QHBJRJFNMVBSCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFN3/c1-9-4-5-10(7-11(9)16)19-13(8-15)18-12-3-2-6-17-14(12)19/h2-7H,8H2,1H3.
What are the key properties of 2-(chloromethyl)-3-(3-fluoro-4-methylphenyl)imidazo[4,5-b]pyridine?
2-(chloromethyl)-3-(3-fluoro-4-methylphenyl)imidazo[4,5-b]pyridine has a molecular weight of 275.71 g/mol, XLogP of 3.61, 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-fluoro-4-methylphenyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 79290101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).