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

C13H7ClF3NO — CID 105098119

IUPAC(3-chloro-4-pyridinyl)-[2-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccncc1Cl)c1ccccc1C(F)(F)F
InChIInChI=1S/C13H7ClF3NO/c14-11-7-18-6-5-9(11)12(19)8-3-1-2-4-10(8)13(15,16)17/h1-7H
InChIKeyHEDKQKUMDLJVAO-UHFFFAOYSA-N
MW285.65 g/mol
LogP3.98
Rot. Bonds2

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

(3-chloro-4-pyridinyl)-[2-(trifluoromethyl)phenyl]methanone (PubChem CID 105098119) has the molecular formula C13H7ClF3NO and a molecular weight of 285.65 g/mol. Its IUPAC name is (3-chloro-4-pyridinyl)-[2-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name(3-chloro-4-pyridinyl)-[2-(trifluoromethyl)phenyl]methanone
PubChem CID105098119
Molecular FormulaC13H7ClF3NO
Molecular Weight285.65 g/mol
Exact Mass285.02
IUPAC Name(3-chloro-4-pyridinyl)-[2-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccncc1Cl)c1ccccc1C(F)(F)F
InChIInChI=1S/C13H7ClF3NO/c14-11-7-18-6-5-9(11)12(19)8-3-1-2-4-10(8)13(15,16)17/h1-7H
InChIKeyHEDKQKUMDLJVAO-UHFFFAOYSA-N
XLogP3.98
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.65
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

bis[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 151901684
(2,5-dichlorophenyl)-[2-(trifluoromethyl)phenyl]methanone
CID 43344618
(3,4-dichlorophenyl)-[2-(trifluoromethyl)phenyl]methanone
CID 43344485
(3-bromo-2-fluorophenyl)-(3-chloro-4-pyridinyl)methanone
CID 106647496
(3-chloro-4-pyridinyl)-(2,3-dimethylphenyl)methanone
CID 105093856
(4-chloro-2,5-difluorophenyl)-[2-(trifluoromethyl)phenyl]methanone
CID 114971329
[4-(2-aminoanilino)-2-chlorophenyl]-[2-(trifluoromethyl)phenyl]methanone
CID 15895830
(5-chlorothiophen-2-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 43338883
(3-chloro-4-pyridinyl)-(3,5-difluorophenyl)methanone
CID 105095200
(2-aminothiophen-3-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 12630812
(4-amino-3,5-dichlorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 102709472
(2-tert-butylphenyl)-(2-chlorophenyl)methanone
CID 14145194

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-pyridinyl)-[2-(trifluoromethyl)phenyl]methanone?
The IUPAC name of (3-chloro-4-pyridinyl)-[2-(trifluoromethyl)phenyl]methanone (CID 105098119) is (3-chloro-4-pyridinyl)-[2-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for (3-chloro-4-pyridinyl)-[2-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for (3-chloro-4-pyridinyl)-[2-(trifluoromethyl)phenyl]methanone is O=C(c1ccncc1Cl)c1ccccc1C(F)(F)F.
What is the InChIKey of (3-chloro-4-pyridinyl)-[2-(trifluoromethyl)phenyl]methanone?
The InChIKey is HEDKQKUMDLJVAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClF3NO/c14-11-7-18-6-5-9(11)12(19)8-3-1-2-4-10(8)13(15,16)17/h1-7H.
What are the key properties of (3-chloro-4-pyridinyl)-[2-(trifluoromethyl)phenyl]methanone?
(3-chloro-4-pyridinyl)-[2-(trifluoromethyl)phenyl]methanone has a molecular weight of 285.65 g/mol, XLogP of 3.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-pyridinyl)-[2-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 105098119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).