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

C14H8BrClF3NO — CID 106971760

IUPAC(2-bromo-4-methylphenyl)-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanone
SMILESCc1ccc(C(=O)c2ccc(C(F)(F)F)nc2Cl)c(Br)c1
InChIInChI=1S/C14H8BrClF3NO/c1-7-2-3-8(10(15)6-7)12(21)9-4-5-11(14(17,18)19)20-13(9)16/h2-6H,1H3
InChIKeyUVDJDOMPITWTIW-UHFFFAOYSA-N
MW378.58 g/mol
LogP5.06
Rot. Bonds2

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

(2-bromo-4-methylphenyl)-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanone (PubChem CID 106971760) has the molecular formula C14H8BrClF3NO and a molecular weight of 378.58 g/mol. Its IUPAC name is (2-bromo-4-methylphenyl)-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanone.

Molecular Properties

Compound Name(2-bromo-4-methylphenyl)-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanone
PubChem CID106971760
Molecular FormulaC14H8BrClF3NO
Molecular Weight378.58 g/mol
Exact Mass376.94
IUPAC Name(2-bromo-4-methylphenyl)-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanone
SMILESCc1ccc(C(=O)c2ccc(C(F)(F)F)nc2Cl)c(Br)c1
InChIInChI=1S/C14H8BrClF3NO/c1-7-2-3-8(10(15)6-7)12(21)9-4-5-11(14(17,18)19)20-13(9)16/h2-6H,1H3
InChIKeyUVDJDOMPITWTIW-UHFFFAOYSA-N
XLogP5.06
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.58
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(2,5-dibromophenyl)methanone
CID 106971800
(3-bromo-4-chlorophenyl)-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanone
CID 107996916
[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(5-methyl-3-pyridinyl)methanone
CID 106971912
[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(2-methyl-3-pyridinyl)methanone
CID 106971848
[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(5-methylfuran-3-yl)methanone
CID 106971961
2-chloro-6-(trifluoromethyl)pyridine-3-carbonyl chloride
CID 53256666
(5-bromothiophen-3-yl)-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanone
CID 106971886
(5-bromo-3-pyridinyl)-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanone
CID 106971979
[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(3,5-difluorophenyl)methanone
CID 106971906
(5-bromothiophen-2-yl)-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanone
CID 106971907
methyl 2-chloro-6-(trifluoromethyl)pyridine-3-carboxylate
CID 46311111
ethyl 2-chloro-6-(trifluoromethyl)pyridine-3-carboxylate
CID 19791830

Frequently Asked Questions

What is the IUPAC name of (2-bromo-4-methylphenyl)-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanone?
The IUPAC name of (2-bromo-4-methylphenyl)-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanone (CID 106971760) is (2-bromo-4-methylphenyl)-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanone.
What is the SMILES notation for (2-bromo-4-methylphenyl)-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanone?
The canonical SMILES for (2-bromo-4-methylphenyl)-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanone is Cc1ccc(C(=O)c2ccc(C(F)(F)F)nc2Cl)c(Br)c1.
What is the InChIKey of (2-bromo-4-methylphenyl)-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanone?
The InChIKey is UVDJDOMPITWTIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrClF3NO/c1-7-2-3-8(10(15)6-7)12(21)9-4-5-11(14(17,18)19)20-13(9)16/h2-6H,1H3.
What are the key properties of (2-bromo-4-methylphenyl)-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanone?
(2-bromo-4-methylphenyl)-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanone has a molecular weight of 378.58 g/mol, XLogP of 5.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-4-methylphenyl)-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanone is sourced from PubChem (CID 106971760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).