(6-chloro-3-pyridinyl)-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]methanone

C12H5Cl2F3N2O — CID 121003917

IUPAC(6-chloro-3-pyridinyl)-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]methanone
SMILESO=C(c1ccc(Cl)nc1)c1cc(Cl)nc(C(F)(F)F)c1
InChIInChI=1S/C12H5Cl2F3N2O/c13-9-2-1-6(5-18-9)11(20)7-3-8(12(15,16)17)19-10(14)4-7/h1-5H
InChIKeyBRKYSJGPEYIYNX-UHFFFAOYSA-N
MW321.09 g/mol
LogP4.03
Rot. Bonds2

About (6-chloro-3-pyridinyl)-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]methanone

(6-chloro-3-pyridinyl)-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]methanone (PubChem CID 121003917) has the molecular formula C12H5Cl2F3N2O and a molecular weight of 321.09 g/mol. Its IUPAC name is (6-chloro-3-pyridinyl)-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]methanone.

Molecular Properties

Compound Name(6-chloro-3-pyridinyl)-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]methanone
PubChem CID121003917
Molecular FormulaC12H5Cl2F3N2O
Molecular Weight321.09 g/mol
Exact Mass319.97
IUPAC Name(6-chloro-3-pyridinyl)-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]methanone
SMILESO=C(c1ccc(Cl)nc1)c1cc(Cl)nc(C(F)(F)F)c1
InChIInChI=1S/C12H5Cl2F3N2O/c13-9-2-1-6(5-18-9)11(20)7-3-8(12(15,16)17)19-10(14)4-7/h1-5H
InChIKeyBRKYSJGPEYIYNX-UHFFFAOYSA-N
XLogP4.03
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.09
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

bis[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 87948655
2-chloro-6-(trifluoromethyl)pyridine;2-chloro-6-(trifluoromethyl)pyridine-4-carboxylic acid
CID 158174130
(2-chloro-5-fluorophenyl)-(6-chloro-3-pyridinyl)methanone
CID 105394341
tert-butyl 2-chloro-6-(trifluoromethyl)pyridine-4-carboxylate;2-chloro-6-(trifluoromethyl)pyridine
CID 158329237
6-chloropyridine-3-carboxylate
CID 6933309
6-chloropyridine-3-carbonyl chloride;6-chloropyridine-3-carboxylic acid;hydrochloride
CID 158925044
6-chloro-N-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 81343163
6-chloropyridine-3-carboxamide;dihydrochloride
CID 87764201
(6-chloro-3-pyridinyl)-(4-cyclobutylphenyl)methanone
CID 116505677
6-chloro-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine-3-carboxamide
CID 134023049
N-(6-chloro-3-pyridinyl)-4-(trifluoromethyl)benzamide
CID 3719290
(6-chloro-3-pyridinyl)-(1H-pyrrol-2-yl)methanone
CID 130528741

Frequently Asked Questions

What is the IUPAC name of (6-chloro-3-pyridinyl)-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]methanone?
The IUPAC name of (6-chloro-3-pyridinyl)-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]methanone (CID 121003917) is (6-chloro-3-pyridinyl)-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]methanone.
What is the SMILES notation for (6-chloro-3-pyridinyl)-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]methanone?
The canonical SMILES for (6-chloro-3-pyridinyl)-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]methanone is O=C(c1ccc(Cl)nc1)c1cc(Cl)nc(C(F)(F)F)c1.
What is the InChIKey of (6-chloro-3-pyridinyl)-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]methanone?
The InChIKey is BRKYSJGPEYIYNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5Cl2F3N2O/c13-9-2-1-6(5-18-9)11(20)7-3-8(12(15,16)17)19-10(14)4-7/h1-5H.
What are the key properties of (6-chloro-3-pyridinyl)-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]methanone?
(6-chloro-3-pyridinyl)-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]methanone has a molecular weight of 321.09 g/mol, XLogP of 4.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-3-pyridinyl)-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]methanone is sourced from PubChem (CID 121003917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).