[4-(difluoromethyl)-2-methylphenyl]-pyridin-4-ylmethanone

C14H11F2NO — CID 118829696

IUPAC[4-(difluoromethyl)-2-methylphenyl]-pyridin-4-ylmethanone
SMILESCc1cc(C(F)F)ccc1C(=O)c1ccncc1
InChIInChI=1S/C14H11F2NO/c1-9-8-11(14(15)16)2-3-12(9)13(18)10-4-6-17-7-5-10/h2-8,14H,1H3
InChIKeyCHTLWMUWYUNPIK-UHFFFAOYSA-N
MW247.24 g/mol
LogP3.56
Rot. Bonds3

About [4-(difluoromethyl)-2-methylphenyl]-pyridin-4-ylmethanone

[4-(difluoromethyl)-2-methylphenyl]-pyridin-4-ylmethanone (PubChem CID 118829696) has the molecular formula C14H11F2NO and a molecular weight of 247.24 g/mol. Its IUPAC name is [4-(difluoromethyl)-2-methylphenyl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[4-(difluoromethyl)-2-methylphenyl]-pyridin-4-ylmethanone
PubChem CID118829696
Molecular FormulaC14H11F2NO
Molecular Weight247.24 g/mol
Exact Mass247.08
IUPAC Name[4-(difluoromethyl)-2-methylphenyl]-pyridin-4-ylmethanone
SMILESCc1cc(C(F)F)ccc1C(=O)c1ccncc1
InChIInChI=1S/C14H11F2NO/c1-9-8-11(14(15)16)2-3-12(9)13(18)10-4-6-17-7-5-10/h2-8,14H,1H3
InChIKeyCHTLWMUWYUNPIK-UHFFFAOYSA-N
XLogP3.56
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.24
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[2-amino-4-(difluoromethyl)phenyl]-pyridin-4-ylmethanone
CID 134627387
[2-chloro-4-(difluoromethyl)phenyl]-pyridin-4-ylmethanone
CID 134627417
[5-(difluoromethyl)-2-methoxyphenyl]-pyridin-4-ylmethanone
CID 134627644
(2-methylphenyl)-pyridin-4-ylmethanone
CID 19957162
(2,4-dimethylphenyl)-(4-propan-2-ylphenyl)methanone
CID 43337891
pyridin-4-yl-(2,3,4-trimethylphenyl)methanone
CID 157331171
(4-fluoro-3-methylphenyl)-pyridin-4-ylmethanone
CID 62789749
(2-amino-4-methylphenyl)-pyridin-4-ylmethanone
CID 69388421
[3-amino-4-(pyridine-4-carbonyl)phenyl]-pyridin-4-ylmethanone
CID 176900459
(4-fluoro-2-methylphenyl)-(4-methylphenyl)methanone
CID 12739979
(2,4-dimethylphenyl)-[4-(trifluoromethyl)phenyl]methanone
CID 43337889
[4-[(1S)-1-aminoethyl]-2-methylphenyl]-isoquinolin-5-ylmethanone;hydrochloride
CID 129114071

Frequently Asked Questions

What is the IUPAC name of [4-(difluoromethyl)-2-methylphenyl]-pyridin-4-ylmethanone?
The IUPAC name of [4-(difluoromethyl)-2-methylphenyl]-pyridin-4-ylmethanone (CID 118829696) is [4-(difluoromethyl)-2-methylphenyl]-pyridin-4-ylmethanone.
What is the SMILES notation for [4-(difluoromethyl)-2-methylphenyl]-pyridin-4-ylmethanone?
The canonical SMILES for [4-(difluoromethyl)-2-methylphenyl]-pyridin-4-ylmethanone is Cc1cc(C(F)F)ccc1C(=O)c1ccncc1.
What is the InChIKey of [4-(difluoromethyl)-2-methylphenyl]-pyridin-4-ylmethanone?
The InChIKey is CHTLWMUWYUNPIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2NO/c1-9-8-11(14(15)16)2-3-12(9)13(18)10-4-6-17-7-5-10/h2-8,14H,1H3.
What are the key properties of [4-(difluoromethyl)-2-methylphenyl]-pyridin-4-ylmethanone?
[4-(difluoromethyl)-2-methylphenyl]-pyridin-4-ylmethanone has a molecular weight of 247.24 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(difluoromethyl)-2-methylphenyl]-pyridin-4-ylmethanone is sourced from PubChem (CID 118829696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).