4-[5-(difluoromethyl)-2-methoxyphenyl]-2-methylpyridine

C14H13F2NO — CID 177238143

IUPAC4-[5-(difluoromethyl)-2-methoxyphenyl]-2-methylpyridine
SMILESCOc1ccc(C(F)F)cc1-c1ccnc(C)c1
InChIInChI=1S/C14H13F2NO/c1-9-7-10(5-6-17-9)12-8-11(14(15)16)3-4-13(12)18-2/h3-8,14H,1-2H3
InChIKeyOVGDPRBXLVGNRW-UHFFFAOYSA-N
MW249.26 g/mol
LogP4.00
Rot. Bonds3

About 4-[5-(difluoromethyl)-2-methoxyphenyl]-2-methylpyridine

4-[5-(difluoromethyl)-2-methoxyphenyl]-2-methylpyridine (PubChem CID 177238143) has the molecular formula C14H13F2NO and a molecular weight of 249.26 g/mol. Its IUPAC name is 4-[5-(difluoromethyl)-2-methoxyphenyl]-2-methylpyridine.

Molecular Properties

Compound Name4-[5-(difluoromethyl)-2-methoxyphenyl]-2-methylpyridine
PubChem CID177238143
Molecular FormulaC14H13F2NO
Molecular Weight249.26 g/mol
Exact Mass249.10
IUPAC Name4-[5-(difluoromethyl)-2-methoxyphenyl]-2-methylpyridine
SMILESCOc1ccc(C(F)F)cc1-c1ccnc(C)c1
InChIInChI=1S/C14H13F2NO/c1-9-7-10(5-6-17-9)12-8-11(14(15)16)3-4-13(12)18-2/h3-8,14H,1-2H3
InChIKeyOVGDPRBXLVGNRW-UHFFFAOYSA-N
XLogP4.00
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.26
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(difluoromethyl)-5-(2-methyl-4-pyridinyl)pyridine
CID 151706255
4-(difluoromethyl)-2-[5-(difluoromethyl)-2-methoxyphenyl]benzoic acid
CID 177238209
1-[4-methoxy-3-(4-methylphenyl)phenyl]-N-methylethanamine
CID 82540557
ethane;4-methoxy-6-(2-methyl-4-pyridinyl)quinoline
CID 143158004
4-[2-methoxy-5-(trifluoromethyl)phenyl]pyridin-2-amine
CID 66652889
4-(difluoromethyl)-2-ethyl-1-methoxybenzene
CID 176934725
1-(4-methoxy-3-phenylphenyl)ethanol
CID 117328991
N-[(3-fluoro-4-methoxyphenyl)-(2-methyl-4-pyridinyl)methyl]ethanamine
CID 106755268
4-(2-methoxy-5-propan-2-ylphenyl)thiophen-2-amine
CID 82130986
1-chloro-4-(difluoromethyl)-2-methoxybenzene
CID 84664383
4-[5-(1-hydroxyethyl)-2-methoxyphenyl]-2,6-dimethoxyphenol
CID 51039637
3-(3-chloro-4-fluorophenyl)-5-(2-methoxy-5-propan-2-ylphenyl)pyridin-2-amine
CID 155552361

Frequently Asked Questions

What is the IUPAC name of 4-[5-(difluoromethyl)-2-methoxyphenyl]-2-methylpyridine?
The IUPAC name of 4-[5-(difluoromethyl)-2-methoxyphenyl]-2-methylpyridine (CID 177238143) is 4-[5-(difluoromethyl)-2-methoxyphenyl]-2-methylpyridine.
What is the SMILES notation for 4-[5-(difluoromethyl)-2-methoxyphenyl]-2-methylpyridine?
The canonical SMILES for 4-[5-(difluoromethyl)-2-methoxyphenyl]-2-methylpyridine is COc1ccc(C(F)F)cc1-c1ccnc(C)c1.
What is the InChIKey of 4-[5-(difluoromethyl)-2-methoxyphenyl]-2-methylpyridine?
The InChIKey is OVGDPRBXLVGNRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2NO/c1-9-7-10(5-6-17-9)12-8-11(14(15)16)3-4-13(12)18-2/h3-8,14H,1-2H3.
What are the key properties of 4-[5-(difluoromethyl)-2-methoxyphenyl]-2-methylpyridine?
4-[5-(difluoromethyl)-2-methoxyphenyl]-2-methylpyridine has a molecular weight of 249.26 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(difluoromethyl)-2-methoxyphenyl]-2-methylpyridine is sourced from PubChem (CID 177238143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).