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

C17H10F7N3O — CID 18359736

IUPAC2-(3,4-difluorophenyl)-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(F)c(F)c2)c1F
InChIInChI=1S/C17H10F7N3O/c1-7-13(20)15(8-3-4-9(18)10(19)5-8)25-16(14(7)21)28-12-6-11(17(22,23)24)26-27(12)2/h3-6H,1-2H3
InChIKeyZLGAPGGXHCEVLF-UHFFFAOYSA-N
MW405.27 g/mol
LogP5.16
Rot. Bonds3

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

2-(3,4-difluorophenyl)-3,5-difluoro-4-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridine (PubChem CID 18359736) has the molecular formula C17H10F7N3O and a molecular weight of 405.27 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-3,5-difluoro-4-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridine.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-3,5-difluoro-4-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridine
PubChem CID18359736
Molecular FormulaC17H10F7N3O
Molecular Weight405.27 g/mol
Exact Mass405.07
IUPAC Name2-(3,4-difluorophenyl)-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(F)c(F)c2)c1F
InChIInChI=1S/C17H10F7N3O/c1-7-13(20)15(8-3-4-9(18)10(19)5-8)25-16(14(7)21)28-12-6-11(17(22,23)24)26-27(12)2/h3-6H,1-2H3
InChIKeyZLGAPGGXHCEVLF-UHFFFAOYSA-N
XLogP5.16
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.27
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-benzyl-5-phenylpyrazol-3-yl)oxy-N,N-dimethylpropan-1-amine
CID 9905772
7-Ethoxy-2-(4-fluorophenyl)-3-(pyridin-4-yl)pyrazolo[1,5-a]pyridine
CID 21027376
2-(4-Fluorophenyl)-3-(pyridin-4-yl)-7-(2,2,2-trifluoroethoxy)pyrazolo[1,5-a]pyridine
CID 21027446
7-Methoxy-4-[(2-pyridin-4-yl)ethyl]-2-trifluoromethylpyrazolo[1,5-a]pyridine
CID 24752867
7-methoxy-4-[(E)-2-pyridin-4-ylethenyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine
CID 24798187
N-methyl-1-[1-methyl-3-(4-phenoxyphenyl)-1H-pyrazol-4-yl]-N-(3-pyridinylmethyl)methanamine
CID 16189799
N-methyl-1-[1-methyl-3-(4-phenoxyphenyl)-1H-pyrazol-4-yl]-N-[(3-methylpyridin-4-yl)methyl]methanamine
CID 16192340
N-{[1-methyl-3-(4-phenoxyphenyl)-1H-pyrazol-4-yl]methyl}-N-(4-pyridinylmethyl)ethanamine
CID 16192364
3-(4-Fluoro-phenyl)-2-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
CID 44394687
7-Methoxy-4-(pyridin-4-ylmethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine
CID 72193179
2-[(2,6-Difluorophenyl)methoxy]-5-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]pyridine
CID 71105372
3-(1-benzyl-3-phenylpyrazol-5-yl)oxy-N,N-dimethylpropan-1-amine
CID 10568821

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-3,5-difluoro-4-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridine?
The IUPAC name of 2-(3,4-difluorophenyl)-3,5-difluoro-4-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridine (CID 18359736) is 2-(3,4-difluorophenyl)-3,5-difluoro-4-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridine.
What is the SMILES notation for 2-(3,4-difluorophenyl)-3,5-difluoro-4-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridine?
The canonical SMILES for 2-(3,4-difluorophenyl)-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(F)c(F)c2)c1F.
What is the InChIKey of 2-(3,4-difluorophenyl)-3,5-difluoro-4-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridine?
The InChIKey is ZLGAPGGXHCEVLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F7N3O/c1-7-13(20)15(8-3-4-9(18)10(19)5-8)25-16(14(7)21)28-12-6-11(17(22,23)24)26-27(12)2/h3-6H,1-2H3.
What are the key properties of 2-(3,4-difluorophenyl)-3,5-difluoro-4-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridine?
2-(3,4-difluorophenyl)-3,5-difluoro-4-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridine has a molecular weight of 405.27 g/mol, XLogP of 5.16, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-3,5-difluoro-4-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridine is sourced from PubChem (CID 18359736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).