(3-chloro-2-pyridinyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanone

C13H6ClF4NO — CID 107288361

IUPAC(3-chloro-2-pyridinyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccc(F)c(C(F)(F)F)c1)c1ncccc1Cl
InChIInChI=1S/C13H6ClF4NO/c14-9-2-1-5-19-11(9)12(20)7-3-4-10(15)8(6-7)13(16,17)18/h1-6H
InChIKeyDNYVXBLBRRHSCD-UHFFFAOYSA-N
MW303.64 g/mol
LogP4.12
Rot. Bonds2

About (3-chloro-2-pyridinyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanone

(3-chloro-2-pyridinyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanone (PubChem CID 107288361) has the molecular formula C13H6ClF4NO and a molecular weight of 303.64 g/mol. Its IUPAC name is (3-chloro-2-pyridinyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name(3-chloro-2-pyridinyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanone
PubChem CID107288361
Molecular FormulaC13H6ClF4NO
Molecular Weight303.64 g/mol
Exact Mass303.01
IUPAC Name(3-chloro-2-pyridinyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccc(F)c(C(F)(F)F)c1)c1ncccc1Cl
InChIInChI=1S/C13H6ClF4NO/c14-9-2-1-5-19-11(9)12(20)7-3-4-10(15)8(6-7)13(16,17)18/h1-6H
InChIKeyDNYVXBLBRRHSCD-UHFFFAOYSA-N
XLogP4.12
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.64
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2,3-dichlorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanone
CID 114970427
(3-chloro-2-pyridinyl)-(3,5-dimethylphenyl)methanone
CID 103443191
(2-chloro-3-methylphenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanone
CID 107291351
[4-fluoro-3-(trifluoromethyl)phenyl]-(4-methylsulfanylphenyl)methanone
CID 107288415
(2-chlorophenyl)-(3-chloro-2-pyridinyl)methanone
CID 103443193
4-fluoro-3-(trifluoromethyl)benzoate
CID 6921666
4-bromo-N-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)benzamide
CID 103943463
(2-chloro-4-pyridinyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone
CID 107288234
(3-chloro-2-pyridinyl)-(5-methyl-3-pyridinyl)methanone
CID 103443112
(3-chloro-4-fluorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 102707594
1-[4-chloro-3-(trifluoromethyl)phenyl]-2,2,2-trifluoroethanone
CID 124526986
(3-fluoro-2-pyridinyl)-naphthalen-2-ylmethanone
CID 23070163

Frequently Asked Questions

What is the IUPAC name of (3-chloro-2-pyridinyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanone?
The IUPAC name of (3-chloro-2-pyridinyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanone (CID 107288361) is (3-chloro-2-pyridinyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for (3-chloro-2-pyridinyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for (3-chloro-2-pyridinyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanone is O=C(c1ccc(F)c(C(F)(F)F)c1)c1ncccc1Cl.
What is the InChIKey of (3-chloro-2-pyridinyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanone?
The InChIKey is DNYVXBLBRRHSCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6ClF4NO/c14-9-2-1-5-19-11(9)12(20)7-3-4-10(15)8(6-7)13(16,17)18/h1-6H.
What are the key properties of (3-chloro-2-pyridinyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanone?
(3-chloro-2-pyridinyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanone has a molecular weight of 303.64 g/mol, XLogP of 4.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-2-pyridinyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 107288361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).