(3,5-dichloro-2-pyridinyl)-[3-(trifluoromethyl)phenyl]methanone

C13H6Cl2F3NO — CID 79786692

IUPAC(3,5-dichloro-2-pyridinyl)-[3-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1cccc(C(F)(F)F)c1)c1ncc(Cl)cc1Cl
InChIInChI=1S/C13H6Cl2F3NO/c14-9-5-10(15)11(19-6-9)12(20)7-2-1-3-8(4-7)13(16,17)18/h1-6H
InChIKeyOEHWKCIFDURXTK-UHFFFAOYSA-N
MW320.10 g/mol
LogP4.64
Rot. Bonds2

About (3,5-dichloro-2-pyridinyl)-[3-(trifluoromethyl)phenyl]methanone

(3,5-dichloro-2-pyridinyl)-[3-(trifluoromethyl)phenyl]methanone (PubChem CID 79786692) has the molecular formula C13H6Cl2F3NO and a molecular weight of 320.10 g/mol. Its IUPAC name is (3,5-dichloro-2-pyridinyl)-[3-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name(3,5-dichloro-2-pyridinyl)-[3-(trifluoromethyl)phenyl]methanone
PubChem CID79786692
Molecular FormulaC13H6Cl2F3NO
Molecular Weight320.10 g/mol
Exact Mass318.98
IUPAC Name(3,5-dichloro-2-pyridinyl)-[3-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1cccc(C(F)(F)F)c1)c1ncc(Cl)cc1Cl
InChIInChI=1S/C13H6Cl2F3NO/c14-9-5-10(15)11(19-6-9)12(20)7-2-1-3-8(4-7)13(16,17)18/h1-6H
InChIKeyOEHWKCIFDURXTK-UHFFFAOYSA-N
XLogP4.64
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.10
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-[3-(trifluoromethyl)benzoyl]phenyl]-[3-(trifluoromethyl)phenyl]methanone
CID 162354741
(2,3-dichlorophenyl)-[3-(trifluoromethyl)phenyl]methanone
CID 63411424
[5-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 18628527
(3-ethyl-2-pyridinyl)-[3-(trifluoromethyl)phenyl]methanone
CID 82730577
2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethanone
CID 159329806
(3,4-difluorophenyl)-[3-(trifluoromethyl)phenyl]methanone
CID 43338250
2-(2,4-dichlorophenyl)-1-[3-(trifluoromethyl)phenyl]ethanone
CID 63411541
(3,5-dichloro-2-pyridinyl)-quinolin-3-ylmethanone
CID 79787017
[[amino-[3-(trifluoromethyl)phenyl]methylidene]amino] 2,5-dichloropyridine-3-carboxylate
CID 2781950
4-chloro-N-[5-chloro-2-(3-methylbenzoyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
CID 11554926
3-[3-(trifluoromethyl)benzoyl]pyridine-2-carboxylic acid
CID 19700744
(3-methylphenyl)-[3-(trifluoromethyl)phenyl]methanone
CID 55026756

Frequently Asked Questions

What is the IUPAC name of (3,5-dichloro-2-pyridinyl)-[3-(trifluoromethyl)phenyl]methanone?
The IUPAC name of (3,5-dichloro-2-pyridinyl)-[3-(trifluoromethyl)phenyl]methanone (CID 79786692) is (3,5-dichloro-2-pyridinyl)-[3-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for (3,5-dichloro-2-pyridinyl)-[3-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for (3,5-dichloro-2-pyridinyl)-[3-(trifluoromethyl)phenyl]methanone is O=C(c1cccc(C(F)(F)F)c1)c1ncc(Cl)cc1Cl.
What is the InChIKey of (3,5-dichloro-2-pyridinyl)-[3-(trifluoromethyl)phenyl]methanone?
The InChIKey is OEHWKCIFDURXTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6Cl2F3NO/c14-9-5-10(15)11(19-6-9)12(20)7-2-1-3-8(4-7)13(16,17)18/h1-6H.
What are the key properties of (3,5-dichloro-2-pyridinyl)-[3-(trifluoromethyl)phenyl]methanone?
(3,5-dichloro-2-pyridinyl)-[3-(trifluoromethyl)phenyl]methanone has a molecular weight of 320.10 g/mol, XLogP of 4.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dichloro-2-pyridinyl)-[3-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 79786692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).