[2-chloro-4-(difluoromethyl)phenyl]-pyridin-4-ylmethanone

C13H8ClF2NO — CID 134627417

IUPAC[2-chloro-4-(difluoromethyl)phenyl]-pyridin-4-ylmethanone
SMILESO=C(c1ccncc1)c1ccc(C(F)F)cc1Cl
InChIInChI=1S/C13H8ClF2NO/c14-11-7-9(13(15)16)1-2-10(11)12(18)8-3-5-17-6-4-8/h1-7,13H
InChIKeyRLXJXBBQPQUZPN-UHFFFAOYSA-N
MW267.66 g/mol
LogP3.90
Rot. Bonds3

About [2-chloro-4-(difluoromethyl)phenyl]-pyridin-4-ylmethanone

[2-chloro-4-(difluoromethyl)phenyl]-pyridin-4-ylmethanone (PubChem CID 134627417) has the molecular formula C13H8ClF2NO and a molecular weight of 267.66 g/mol. Its IUPAC name is [2-chloro-4-(difluoromethyl)phenyl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[2-chloro-4-(difluoromethyl)phenyl]-pyridin-4-ylmethanone
PubChem CID134627417
Molecular FormulaC13H8ClF2NO
Molecular Weight267.66 g/mol
Exact Mass267.03
IUPAC Name[2-chloro-4-(difluoromethyl)phenyl]-pyridin-4-ylmethanone
SMILESO=C(c1ccncc1)c1ccc(C(F)F)cc1Cl
InChIInChI=1S/C13H8ClF2NO/c14-11-7-9(13(15)16)1-2-10(11)12(18)8-3-5-17-6-4-8/h1-7,13H
InChIKeyRLXJXBBQPQUZPN-UHFFFAOYSA-N
XLogP3.90
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.66
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(difluoromethyl)-2-methylphenyl]-pyridin-4-ylmethanone
CID 118829696
[2-amino-4-(difluoromethyl)phenyl]-pyridin-4-ylmethanone
CID 134627387
[5-(difluoromethyl)-2-methoxyphenyl]-pyridin-4-ylmethanone
CID 134627644
(2,4-dichlorophenyl)-(4-propan-2-ylphenyl)methanone
CID 43625036
(2-chloro-4-methylphenyl)-(4-propan-2-ylphenyl)methanone
CID 106860797
(3-chloro-4-pyridinyl)-(3,5-difluorophenyl)methanone
CID 105095200
(4-bromo-3-chloro-2-fluorophenyl)-pyridin-4-ylmethanone
CID 106761695
[3-amino-4-(pyridine-4-carbonyl)phenyl]-pyridin-4-ylmethanone
CID 176900459
[2-amino-5-(difluoromethoxy)phenyl]-pyridin-4-ylmethanone
CID 134627389
(2-chloro-4-fluorophenyl)-[4-(2-methylpropyl)phenyl]methanone
CID 43338130
(2-amino-4-methylphenyl)-pyridin-4-ylmethanone
CID 69388421
(2,4-dichlorophenyl)-(4-hydroxyphenyl)methanone
CID 13453357

Frequently Asked Questions

What is the IUPAC name of [2-chloro-4-(difluoromethyl)phenyl]-pyridin-4-ylmethanone?
The IUPAC name of [2-chloro-4-(difluoromethyl)phenyl]-pyridin-4-ylmethanone (CID 134627417) is [2-chloro-4-(difluoromethyl)phenyl]-pyridin-4-ylmethanone.
What is the SMILES notation for [2-chloro-4-(difluoromethyl)phenyl]-pyridin-4-ylmethanone?
The canonical SMILES for [2-chloro-4-(difluoromethyl)phenyl]-pyridin-4-ylmethanone is O=C(c1ccncc1)c1ccc(C(F)F)cc1Cl.
What is the InChIKey of [2-chloro-4-(difluoromethyl)phenyl]-pyridin-4-ylmethanone?
The InChIKey is RLXJXBBQPQUZPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClF2NO/c14-11-7-9(13(15)16)1-2-10(11)12(18)8-3-5-17-6-4-8/h1-7,13H.
What are the key properties of [2-chloro-4-(difluoromethyl)phenyl]-pyridin-4-ylmethanone?
[2-chloro-4-(difluoromethyl)phenyl]-pyridin-4-ylmethanone has a molecular weight of 267.66 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-4-(difluoromethyl)phenyl]-pyridin-4-ylmethanone is sourced from PubChem (CID 134627417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).