5-chloro-3-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-2-methylimidazo[4,5-b]pyridine

C15H11ClF3N3O — CID 122620299

IUPAC5-chloro-3-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-2-methylimidazo[4,5-b]pyridine
SMILESCc1nc2ccc(Cl)nc2n1Cc1c(F)cccc1OC(F)F
InChIInChI=1S/C15H11ClF3N3O/c1-8-20-11-5-6-13(16)21-14(11)22(8)7-9-10(17)3-2-4-12(9)23-15(18)19/h2-6,15H,7H2,1H3
InChIKeyLWWXBCYKJZHDIX-UHFFFAOYSA-N
MW341.72 g/mol
LogP4.18
Rot. Bonds4

About 5-chloro-3-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-2-methylimidazo[4,5-b]pyridine

5-chloro-3-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-2-methylimidazo[4,5-b]pyridine (PubChem CID 122620299) has the molecular formula C15H11ClF3N3O and a molecular weight of 341.72 g/mol. Its IUPAC name is 5-chloro-3-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-2-methylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name5-chloro-3-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-2-methylimidazo[4,5-b]pyridine
PubChem CID122620299
Molecular FormulaC15H11ClF3N3O
Molecular Weight341.72 g/mol
Exact Mass341.05
IUPAC Name5-chloro-3-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-2-methylimidazo[4,5-b]pyridine
SMILESCc1nc2ccc(Cl)nc2n1Cc1c(F)cccc1OC(F)F
InChIInChI=1S/C15H11ClF3N3O/c1-8-20-11-5-6-13(16)21-14(11)22(8)7-9-10(17)3-2-4-12(9)23-15(18)19/h2-6,15H,7H2,1H3
InChIKeyLWWXBCYKJZHDIX-UHFFFAOYSA-N
XLogP4.18
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.72
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-Chloro-4-(2-(2,5-dimethyl-1-(4-(trifluoromethoxy)phenyl)-1H-imidazol-4-yl)ethynyl)pyridine
CID 11646823
1-((2-Methoxyphenyl)methyl)-2-methyl-1H-benzimidazole
CID 940002
3-Chloro-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine
CID 1104473
2-(3-Chloro-2-methoxyphenyl)imidazo[1,2-a]pyridine
CID 2725744
7-[2-Chloro-4-(difluoromethoxy)phenyl]-3-(1-cyclobutylethyl)-2-ethylimidazo[4,5-b]pyridine
CID 10222981
1-[(2-Methoxyphenyl)methyl]-2-propan-2-ylbenzimidazole
CID 830207
2-(3-Chloro-2-methoxyphenyl)-7-methylimidazo[1,2-a]pyridine
CID 2725743
9-[(2-methoxyphenyl)methyl]-N-methyl-2-(trifluoromethyl)purin-6-amine
CID 10065640
(5-(4-Chloro-3-fluorophenyl)-2-(2-methoxyphenyl)-7-methylimidazo[1,2-a]pyrimidin-6-yl)methanamine
CID 11696912
2-(4-chlorophenyl)-1-(4-methoxybenzyl)-1H-imidazo[1,2-a]pyridin-4-ium bromide
CID 12005558
2-Methoxy-6,7-dimethyl-9-[2-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrido[3,2-e]pyrazine
CID 42630065
2-(3-Chloro-2-fluoro-phenyl)-5-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-c]pyridine
CID 44427168

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-2-methylimidazo[4,5-b]pyridine?
The IUPAC name of 5-chloro-3-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-2-methylimidazo[4,5-b]pyridine (CID 122620299) is 5-chloro-3-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-2-methylimidazo[4,5-b]pyridine.
What is the SMILES notation for 5-chloro-3-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-2-methylimidazo[4,5-b]pyridine?
The canonical SMILES for 5-chloro-3-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-2-methylimidazo[4,5-b]pyridine is Cc1nc2ccc(Cl)nc2n1Cc1c(F)cccc1OC(F)F.
What is the InChIKey of 5-chloro-3-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-2-methylimidazo[4,5-b]pyridine?
The InChIKey is LWWXBCYKJZHDIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF3N3O/c1-8-20-11-5-6-13(16)21-14(11)22(8)7-9-10(17)3-2-4-12(9)23-15(18)19/h2-6,15H,7H2,1H3.
What are the key properties of 5-chloro-3-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-2-methylimidazo[4,5-b]pyridine?
5-chloro-3-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-2-methylimidazo[4,5-b]pyridine has a molecular weight of 341.72 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-2-methylimidazo[4,5-b]pyridine is sourced from PubChem (CID 122620299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).