5-[[3-(difluoromethyl)-4-fluorophenyl]methyl]-2-methoxypyridine

C14H12F3NO — CID 175294527

IUPAC5-[[3-(difluoromethyl)-4-fluorophenyl]methyl]-2-methoxypyridine
SMILESCOc1ccc(Cc2ccc(F)c(C(F)F)c2)cn1
InChIInChI=1S/C14H12F3NO/c1-19-13-5-3-10(8-18-13)6-9-2-4-12(15)11(7-9)14(16)17/h2-5,7-8,14H,6H2,1H3
InChIKeyNZEYTUDVGBJQCJ-UHFFFAOYSA-N
MW267.25 g/mol
LogP3.76
Rot. Bonds4

About 5-[[3-(difluoromethyl)-4-fluorophenyl]methyl]-2-methoxypyridine

5-[[3-(difluoromethyl)-4-fluorophenyl]methyl]-2-methoxypyridine (PubChem CID 175294527) has the molecular formula C14H12F3NO and a molecular weight of 267.25 g/mol. Its IUPAC name is 5-[[3-(difluoromethyl)-4-fluorophenyl]methyl]-2-methoxypyridine.

Molecular Properties

Compound Name5-[[3-(difluoromethyl)-4-fluorophenyl]methyl]-2-methoxypyridine
PubChem CID175294527
Molecular FormulaC14H12F3NO
Molecular Weight267.25 g/mol
Exact Mass267.09
IUPAC Name5-[[3-(difluoromethyl)-4-fluorophenyl]methyl]-2-methoxypyridine
SMILESCOc1ccc(Cc2ccc(F)c(C(F)F)c2)cn1
InChIInChI=1S/C14H12F3NO/c1-19-13-5-3-10(8-18-13)6-9-2-4-12(15)11(7-9)14(16)17/h2-5,7-8,14H,6H2,1H3
InChIKeyNZEYTUDVGBJQCJ-UHFFFAOYSA-N
XLogP3.76
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-5-[(6-methoxy-3-pyridinyl)methyl]pyridine
CID 139512366
2-[[3-(difluoromethyl)-4-fluorophenyl]methyl]pyrazine
CID 175294439
1-(4-fluoro-3-methoxyphenyl)-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine
CID 82991116
1-[3-(difluoromethyl)phenyl]-N-[(6-methoxy-3-pyridinyl)methyl]methanamine
CID 115526058
4-[(6-methoxy-3-pyridinyl)methyl]-2-methylbenzoic acid
CID 175238679
1-(3-chloro-4-fluorophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]methanamine
CID 81144859
4-chloro-5-(difluoromethyl)-2-methoxypyridine
CID 118822541
1-(2,6-difluoro-3-methylphenyl)-2-(6-methoxy-3-pyridinyl)ethanol
CID 82823117
2,2-difluoro-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine
CID 62989233
1,2,2-trifluoro-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine
CID 175358714
2,3,4-trifluoro-N-[(6-methoxy-3-pyridinyl)methyl]aniline
CID 114936281
N-[5-[[3-(difluoromethyl)-4-fluorophenyl]methyl]-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 139522097

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(difluoromethyl)-4-fluorophenyl]methyl]-2-methoxypyridine?
The IUPAC name of 5-[[3-(difluoromethyl)-4-fluorophenyl]methyl]-2-methoxypyridine (CID 175294527) is 5-[[3-(difluoromethyl)-4-fluorophenyl]methyl]-2-methoxypyridine.
What is the SMILES notation for 5-[[3-(difluoromethyl)-4-fluorophenyl]methyl]-2-methoxypyridine?
The canonical SMILES for 5-[[3-(difluoromethyl)-4-fluorophenyl]methyl]-2-methoxypyridine is COc1ccc(Cc2ccc(F)c(C(F)F)c2)cn1.
What is the InChIKey of 5-[[3-(difluoromethyl)-4-fluorophenyl]methyl]-2-methoxypyridine?
The InChIKey is NZEYTUDVGBJQCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO/c1-19-13-5-3-10(8-18-13)6-9-2-4-12(15)11(7-9)14(16)17/h2-5,7-8,14H,6H2,1H3.
What are the key properties of 5-[[3-(difluoromethyl)-4-fluorophenyl]methyl]-2-methoxypyridine?
5-[[3-(difluoromethyl)-4-fluorophenyl]methyl]-2-methoxypyridine has a molecular weight of 267.25 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(difluoromethyl)-4-fluorophenyl]methyl]-2-methoxypyridine is sourced from PubChem (CID 175294527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).