2-bromo-3-chloro-6-methyl-4-(trifluoromethoxy)pyridine

C7H4BrClF3NO — CID 119001342

IUPAC2-bromo-3-chloro-6-methyl-4-(trifluoromethoxy)pyridine
SMILESCc1cc(OC(F)(F)F)c(Cl)c(Br)n1
InChIInChI=1S/C7H4BrClF3NO/c1-3-2-4(14-7(10,11)12)5(9)6(8)13-3/h2H,1H3
InChIKeyURKYLCKIEQDBPJ-UHFFFAOYSA-N
MW290.47 g/mol
LogP3.70
Rot. Bonds1

About 2-bromo-3-chloro-6-methyl-4-(trifluoromethoxy)pyridine

2-bromo-3-chloro-6-methyl-4-(trifluoromethoxy)pyridine (PubChem CID 119001342) has the molecular formula C7H4BrClF3NO and a molecular weight of 290.47 g/mol. Its IUPAC name is 2-bromo-3-chloro-6-methyl-4-(trifluoromethoxy)pyridine.

Molecular Properties

Compound Name2-bromo-3-chloro-6-methyl-4-(trifluoromethoxy)pyridine
PubChem CID119001342
Molecular FormulaC7H4BrClF3NO
Molecular Weight290.47 g/mol
Exact Mass288.91
IUPAC Name2-bromo-3-chloro-6-methyl-4-(trifluoromethoxy)pyridine
SMILESCc1cc(OC(F)(F)F)c(Cl)c(Br)n1
InChIInChI=1S/C7H4BrClF3NO/c1-3-2-4(14-7(10,11)12)5(9)6(8)13-3/h2H,1H3
InChIKeyURKYLCKIEQDBPJ-UHFFFAOYSA-N
XLogP3.70
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.47
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-bromo-3-chloro-6-methyl-4-(trifluoromethoxy)pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-3-(difluoromethyl)-6-methyl-4-(trifluoromethoxy)pyridine
CID 119016175
3-chloro-2-methyl-4-(trifluoromethoxy)-6-(trifluoromethyl)pyridine
CID 133087764
2,3,6-trichloro-4-(trifluoromethoxy)pyridine
CID 119007597
2-bromo-5-fluoro-6-methyl-3-(trifluoromethoxy)pyridine
CID 119009127
2-chloro-6-methyl-4-(trifluoromethoxy)pyridine
CID 130089695
6-bromo-4-chloro-3-methyl-8-(trifluoromethoxy)quinoline
CID 171373322
2,3-dibromo-4-chloro-5-(trifluoromethoxy)pyridine
CID 118811403
4-chloro-2-methyl-5-(trifluoromethoxy)pyridine
CID 70832767
[3-iodo-6-methyl-4-(trifluoromethoxy)-2-pyridinyl]methanamine
CID 118820077
2-bromo-3,4-dimethyl-5-(trifluoromethoxy)pyridine
CID 130898141
2,3-dibromo-6-fluoro-5-(trifluoromethoxy)pyridine
CID 118820838
2-bromo-3,6-difluoro-5-(trifluoromethoxy)pyridine
CID 130094144

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-chloro-6-methyl-4-(trifluoromethoxy)pyridine?
The IUPAC name of 2-bromo-3-chloro-6-methyl-4-(trifluoromethoxy)pyridine (CID 119001342) is 2-bromo-3-chloro-6-methyl-4-(trifluoromethoxy)pyridine.
What is the SMILES notation for 2-bromo-3-chloro-6-methyl-4-(trifluoromethoxy)pyridine?
The canonical SMILES for 2-bromo-3-chloro-6-methyl-4-(trifluoromethoxy)pyridine is Cc1cc(OC(F)(F)F)c(Cl)c(Br)n1.
What is the InChIKey of 2-bromo-3-chloro-6-methyl-4-(trifluoromethoxy)pyridine?
The InChIKey is URKYLCKIEQDBPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrClF3NO/c1-3-2-4(14-7(10,11)12)5(9)6(8)13-3/h2H,1H3.
What are the key properties of 2-bromo-3-chloro-6-methyl-4-(trifluoromethoxy)pyridine?
2-bromo-3-chloro-6-methyl-4-(trifluoromethoxy)pyridine has a molecular weight of 290.47 g/mol, XLogP of 3.70, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-chloro-6-methyl-4-(trifluoromethoxy)pyridine is sourced from PubChem (CID 119001342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).