[4-chloro-2-(difluoromethyl)phenyl]-pyridin-3-ylmethanone

C13H8ClF2NO — CID 134622134

IUPAC[4-chloro-2-(difluoromethyl)phenyl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)c1ccc(Cl)cc1C(F)F
InChIInChI=1S/C13H8ClF2NO/c14-9-3-4-10(11(6-9)13(15)16)12(18)8-2-1-5-17-7-8/h1-7,13H
InChIKeySJGSFODWTWQMMH-UHFFFAOYSA-N
MW267.66 g/mol
LogP3.90
Rot. Bonds3

About [4-chloro-2-(difluoromethyl)phenyl]-pyridin-3-ylmethanone

[4-chloro-2-(difluoromethyl)phenyl]-pyridin-3-ylmethanone (PubChem CID 134622134) has the molecular formula C13H8ClF2NO and a molecular weight of 267.66 g/mol. Its IUPAC name is [4-chloro-2-(difluoromethyl)phenyl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[4-chloro-2-(difluoromethyl)phenyl]-pyridin-3-ylmethanone
PubChem CID134622134
Molecular FormulaC13H8ClF2NO
Molecular Weight267.66 g/mol
Exact Mass267.03
IUPAC Name[4-chloro-2-(difluoromethyl)phenyl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)c1ccc(Cl)cc1C(F)F
InChIInChI=1S/C13H8ClF2NO/c14-9-3-4-10(11(6-9)13(15)16)12(18)8-2-1-5-17-7-8/h1-7,13H
InChIKeySJGSFODWTWQMMH-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-chloro-2-(pyridine-3-carbonyl)benzamide
CID 68547822
[2-(difluoromethyl)-5-methoxyphenyl]-pyridin-3-ylmethanone
CID 134621203
(2-chloro-5-fluorophenyl)-pyridin-3-ylmethanone
CID 112694365
[3-(difluoromethyl)-2-nitrophenyl]-pyridin-3-ylmethanone
CID 134621605
(2,6-dichlorophenyl)-pyridin-3-ylmethanone
CID 14249700
[2-chloro-3-(difluoromethoxy)phenyl]-pyridin-3-ylmethanone
CID 134621435
4-chloro-N-[4-chloro-2-(pyridine-3-carbonyl)phenyl]benzenesulfonamide
CID 10386667
[4-amino-2-(difluoromethoxy)phenyl]-pyridin-3-ylmethanone
CID 134622086
2-(4-chloro-2-fluorophenyl)-1-pyridin-3-ylethanone
CID 114853626
[3-bromo-5-(difluoromethyl)phenyl]-pyridin-3-ylmethanone
CID 134621771
N'-(4-chloro-2-iodobenzoyl)pyridine-3-carbohydrazide
CID 39716932
(2-chloro-4-phenoxyphenyl)-pyridin-3-ylmethanone
CID 175689937

Frequently Asked Questions

What is the IUPAC name of [4-chloro-2-(difluoromethyl)phenyl]-pyridin-3-ylmethanone?
The IUPAC name of [4-chloro-2-(difluoromethyl)phenyl]-pyridin-3-ylmethanone (CID 134622134) is [4-chloro-2-(difluoromethyl)phenyl]-pyridin-3-ylmethanone.
What is the SMILES notation for [4-chloro-2-(difluoromethyl)phenyl]-pyridin-3-ylmethanone?
The canonical SMILES for [4-chloro-2-(difluoromethyl)phenyl]-pyridin-3-ylmethanone is O=C(c1cccnc1)c1ccc(Cl)cc1C(F)F.
What is the InChIKey of [4-chloro-2-(difluoromethyl)phenyl]-pyridin-3-ylmethanone?
The InChIKey is SJGSFODWTWQMMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClF2NO/c14-9-3-4-10(11(6-9)13(15)16)12(18)8-2-1-5-17-7-8/h1-7,13H.
What are the key properties of [4-chloro-2-(difluoromethyl)phenyl]-pyridin-3-ylmethanone?
[4-chloro-2-(difluoromethyl)phenyl]-pyridin-3-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 [4-chloro-2-(difluoromethyl)phenyl]-pyridin-3-ylmethanone is sourced from PubChem (CID 134622134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).