2-(4-chlorophenyl)-3,5-difluoro-4-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridine

C17H11ClF5N3O — CID 18359732

IUPAC2-(4-chlorophenyl)-3,5-difluoro-4-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridine
SMILESCc1c(F)c(Oc2cc(C(F)(F)F)nn2C)nc(-c2ccc(Cl)cc2)c1F
InChIInChI=1S/C17H11ClF5N3O/c1-8-13(19)15(9-3-5-10(18)6-4-9)24-16(14(8)20)27-12-7-11(17(21,22)23)25-26(12)2/h3-7H,1-2H3
InChIKeyCGRIFJNDSWUYFT-UHFFFAOYSA-N
MW403.74 g/mol
LogP5.53
Rot. Bonds3

About 2-(4-chlorophenyl)-3,5-difluoro-4-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridine

2-(4-chlorophenyl)-3,5-difluoro-4-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridine (PubChem CID 18359732) has the molecular formula C17H11ClF5N3O and a molecular weight of 403.74 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3,5-difluoro-4-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3,5-difluoro-4-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridine
PubChem CID18359732
Molecular FormulaC17H11ClF5N3O
Molecular Weight403.74 g/mol
Exact Mass403.05
IUPAC Name2-(4-chlorophenyl)-3,5-difluoro-4-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridine
SMILESCc1c(F)c(Oc2cc(C(F)(F)F)nn2C)nc(-c2ccc(Cl)cc2)c1F
InChIInChI=1S/C17H11ClF5N3O/c1-8-13(19)15(9-3-5-10(18)6-4-9)24-16(14(8)20)27-12-7-11(17(21,22)23)25-26(12)2/h3-7H,1-2H3
InChIKeyCGRIFJNDSWUYFT-UHFFFAOYSA-N
XLogP5.53
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.74
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-difluoro-4-methyl-2-[1-methyl-4-(trifluoromethyl)pyrrol-2-yl]oxy-6-[4-(trifluoromethyl)phenyl]pyridine
CID 11750924
2-iodo-5-methyl-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrimidine
CID 12056712
4-methoxy-2,6-bis[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy]pyridine
CID 22572630
2,3,5-trifluoro-4-methyl-6-[4-(trifluoromethyl)phenyl]pyridine
CID 11437757
5-methyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridazine
CID 19436808
5-chloro-1-(4-chlorophenyl)-3-(trifluoromethyl)pyrazole
CID 66022575
2-[3,5-bis(4-chlorophenyl)pyrazol-1-yl]-4-(4-methylphenyl)-6-(trifluoromethyl)pyrimidine
CID 19586511
[1-methyl-3-(trifluoromethyl)pyrazol-5-yl] 2-chlorobenzoate
CID 2807373
5-tert-butyl-3-(4-chlorophenyl)-1,4-dimethylpyrazole
CID 58157361
4-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-6-(4,4,4-trifluoro-3-methylbutoxy)pyridine
CID 22572644
2-[5-[(4-chlorophenyl)methoxy]-3-(trifluoromethyl)pyrazol-1-yl]-5-methylsulfonylpyridine
CID 22499710
[1-methyl-3-(trifluoromethyl)pyrazol-5-yl] 3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
CID 2807374

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-3,5-difluoro-4-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridine?
The IUPAC name of 2-(4-chlorophenyl)-3,5-difluoro-4-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridine (CID 18359732) is 2-(4-chlorophenyl)-3,5-difluoro-4-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridine.
What is the SMILES notation for 2-(4-chlorophenyl)-3,5-difluoro-4-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridine?
The canonical SMILES for 2-(4-chlorophenyl)-3,5-difluoro-4-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridine is Cc1c(F)c(Oc2cc(C(F)(F)F)nn2C)nc(-c2ccc(Cl)cc2)c1F.
What is the InChIKey of 2-(4-chlorophenyl)-3,5-difluoro-4-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridine?
The InChIKey is CGRIFJNDSWUYFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClF5N3O/c1-8-13(19)15(9-3-5-10(18)6-4-9)24-16(14(8)20)27-12-7-11(17(21,22)23)25-26(12)2/h3-7H,1-2H3.
What are the key properties of 2-(4-chlorophenyl)-3,5-difluoro-4-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridine?
2-(4-chlorophenyl)-3,5-difluoro-4-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridine has a molecular weight of 403.74 g/mol, XLogP of 5.53, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-3,5-difluoro-4-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridine is sourced from PubChem (CID 18359732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).