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

C13H8ClF2N3 — CID 79289374

IUPAC2-(chloromethyl)-3-(2,4-difluorophenyl)imidazo[4,5-b]pyridine
SMILESFc1ccc(-n2c(CCl)nc3cccnc32)c(F)c1
InChIInChI=1S/C13H8ClF2N3/c14-7-12-18-10-2-1-5-17-13(10)19(12)11-4-3-8(15)6-9(11)16/h1-6H,7H2
InChIKeyDZGVUHNMJMOJEN-UHFFFAOYSA-N
MW279.68 g/mol
LogP3.44
Rot. Bonds2

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

2-(chloromethyl)-3-(2,4-difluorophenyl)imidazo[4,5-b]pyridine (PubChem CID 79289374) has the molecular formula C13H8ClF2N3 and a molecular weight of 279.68 g/mol. Its IUPAC name is 2-(chloromethyl)-3-(2,4-difluorophenyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(chloromethyl)-3-(2,4-difluorophenyl)imidazo[4,5-b]pyridine
PubChem CID79289374
Molecular FormulaC13H8ClF2N3
Molecular Weight279.68 g/mol
Exact Mass279.04
IUPAC Name2-(chloromethyl)-3-(2,4-difluorophenyl)imidazo[4,5-b]pyridine
SMILESFc1ccc(-n2c(CCl)nc3cccnc32)c(F)c1
InChIInChI=1S/C13H8ClF2N3/c14-7-12-18-10-2-1-5-17-13(10)19(12)11-4-3-8(15)6-9(11)16/h1-6H,7H2
InChIKeyDZGVUHNMJMOJEN-UHFFFAOYSA-N
XLogP3.44
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.68
LogP ≤ 53.44
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-(4-fluorophenyl)imidazo[4,5-b]pyridine
CID 79289700
6-bromo-2-(chloromethyl)-3-(2,4-difluorophenyl)imidazo[4,5-b]pyridine
CID 79302170
3-(2-bromo-5-chlorophenyl)-2-(chloromethyl)imidazo[4,5-b]pyridine
CID 81275001
2-(chloromethyl)-3-(5-chloro-2-methylphenyl)imidazo[4,5-b]pyridine
CID 79289697
2-(chloromethyl)-3-(3-fluoro-4-methylphenyl)imidazo[4,5-b]pyridine
CID 79290101
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-(chloromethyl)-3-[(3-fluorophenyl)methyl]imidazo[4,5-b]pyridine
CID 71648916
2-(chloromethyl)-3-(3,4-dimethylphenyl)imidazo[4,5-b]pyridine
CID 79293048
4-[2-(chloromethyl)imidazo[4,5-b]pyridin-3-yl]-3-methoxybenzonitrile
CID 104849674
3-(2-bromo-4-fluorophenyl)-2-(chloromethyl)-6-methylimidazo[4,5-b]pyridine
CID 79300930
6-chloro-3-(2-chloro-5-fluorophenyl)-2-(chloromethyl)imidazo[4,5-b]pyridine
CID 107529612

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-3-(2,4-difluorophenyl)imidazo[4,5-b]pyridine?
The IUPAC name of 2-(chloromethyl)-3-(2,4-difluorophenyl)imidazo[4,5-b]pyridine (CID 79289374) is 2-(chloromethyl)-3-(2,4-difluorophenyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(chloromethyl)-3-(2,4-difluorophenyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(chloromethyl)-3-(2,4-difluorophenyl)imidazo[4,5-b]pyridine is Fc1ccc(-n2c(CCl)nc3cccnc32)c(F)c1.
What is the InChIKey of 2-(chloromethyl)-3-(2,4-difluorophenyl)imidazo[4,5-b]pyridine?
The InChIKey is DZGVUHNMJMOJEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClF2N3/c14-7-12-18-10-2-1-5-17-13(10)19(12)11-4-3-8(15)6-9(11)16/h1-6H,7H2.
What are the key properties of 2-(chloromethyl)-3-(2,4-difluorophenyl)imidazo[4,5-b]pyridine?
2-(chloromethyl)-3-(2,4-difluorophenyl)imidazo[4,5-b]pyridine has a molecular weight of 279.68 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-3-(2,4-difluorophenyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 79289374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).