[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-(2,4-dichlorophenyl)methanone

C13H5Cl3F3NO — CID 3743943

IUPAC[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-(2,4-dichlorophenyl)methanone
SMILESO=C(c1ccc(Cl)cc1Cl)c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C13H5Cl3F3NO/c14-7-1-2-8(9(15)4-7)12(21)11-10(16)3-6(5-20-11)13(17,18)19/h1-5H
InChIKeyBAZSQVVPQOFQKB-UHFFFAOYSA-N
MW354.54 g/mol
LogP5.29
Rot. Bonds2

About [3-chloro-5-(trifluoromethyl)-2-pyridinyl]-(2,4-dichlorophenyl)methanone

[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-(2,4-dichlorophenyl)methanone (PubChem CID 3743943) has the molecular formula C13H5Cl3F3NO and a molecular weight of 354.54 g/mol. Its IUPAC name is [3-chloro-5-(trifluoromethyl)-2-pyridinyl]-(2,4-dichlorophenyl)methanone.

Molecular Properties

Compound Name[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-(2,4-dichlorophenyl)methanone
PubChem CID3743943
Molecular FormulaC13H5Cl3F3NO
Molecular Weight354.54 g/mol
Exact Mass352.94
IUPAC Name[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-(2,4-dichlorophenyl)methanone
SMILESO=C(c1ccc(Cl)cc1Cl)c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C13H5Cl3F3NO/c14-7-1-2-8(9(15)4-7)12(21)11-10(16)3-6(5-20-11)13(17,18)19/h1-5H
InChIKeyBAZSQVVPQOFQKB-UHFFFAOYSA-N
XLogP5.29
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.54
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-chloro-5-(trifluoromethyl)-2-pyridinyl]-(2,4-dichlorophenyl)methanone?
The IUPAC name of [3-chloro-5-(trifluoromethyl)-2-pyridinyl]-(2,4-dichlorophenyl)methanone (CID 3743943) is [3-chloro-5-(trifluoromethyl)-2-pyridinyl]-(2,4-dichlorophenyl)methanone.
What is the SMILES notation for [3-chloro-5-(trifluoromethyl)-2-pyridinyl]-(2,4-dichlorophenyl)methanone?
The canonical SMILES for [3-chloro-5-(trifluoromethyl)-2-pyridinyl]-(2,4-dichlorophenyl)methanone is O=C(c1ccc(Cl)cc1Cl)c1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of [3-chloro-5-(trifluoromethyl)-2-pyridinyl]-(2,4-dichlorophenyl)methanone?
The InChIKey is BAZSQVVPQOFQKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H5Cl3F3NO/c14-7-1-2-8(9(15)4-7)12(21)11-10(16)3-6(5-20-11)13(17,18)19/h1-5H.
What are the key properties of [3-chloro-5-(trifluoromethyl)-2-pyridinyl]-(2,4-dichlorophenyl)methanone?
[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-(2,4-dichlorophenyl)methanone has a molecular weight of 354.54 g/mol, XLogP of 5.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-5-(trifluoromethyl)-2-pyridinyl]-(2,4-dichlorophenyl)methanone is sourced from PubChem (CID 3743943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).