6-bromo-3-fluoro-2-methyl-4-(trifluoromethyl)pyridine

C7H4BrF4N — CID 83488601

IUPAC6-bromo-3-fluoro-2-methyl-4-(trifluoromethyl)pyridine
SMILESCc1nc(Br)cc(C(F)(F)F)c1F
InChIInChI=1S/C7H4BrF4N/c1-3-6(9)4(7(10,11)12)2-5(8)13-3/h2H,1H3
InChIKeyZNWUVIHKINDMKI-UHFFFAOYSA-N
MW258.01 g/mol
LogP3.31
Rot. Bonds

About 6-bromo-3-fluoro-2-methyl-4-(trifluoromethyl)pyridine

6-bromo-3-fluoro-2-methyl-4-(trifluoromethyl)pyridine (PubChem CID 83488601) has the molecular formula C7H4BrF4N and a molecular weight of 258.01 g/mol. Its IUPAC name is 6-bromo-3-fluoro-2-methyl-4-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name6-bromo-3-fluoro-2-methyl-4-(trifluoromethyl)pyridine
PubChem CID83488601
Molecular FormulaC7H4BrF4N
Molecular Weight258.01 g/mol
Exact Mass256.95
IUPAC Name6-bromo-3-fluoro-2-methyl-4-(trifluoromethyl)pyridine
SMILESCc1nc(Br)cc(C(F)(F)F)c1F
InChIInChI=1S/C7H4BrF4N/c1-3-6(9)4(7(10,11)12)2-5(8)13-3/h2H,1H3
InChIKeyZNWUVIHKINDMKI-UHFFFAOYSA-N
XLogP3.31
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.01
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 6-bromo-3-fluoro-2-methyl-4-(trifluoromethyl)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

(6-bromo-3-fluoro-2-methyl-4-pyridinyl)boronic acid
CID 160725484
1-bromo-2,3,4-trifluoro-5-(trifluoromethyl)benzene
CID 87725654
[6-bromo-3-(trifluoromethoxy)-4-(trifluoromethyl)-2-pyridinyl]methanol
CID 133087725
2-fluoro-1,3,5-tris(trifluoromethyl)benzene
CID 12503713
3-fluoro-6-methyl-5-(trifluoromethyl)pyridin-2-amine
CID 166534161
6-bromo-3-(difluoromethyl)-4-fluoro-2-methylpyridine
CID 130109381
2-chloro-5-fluoro-6-methyl-3-(trifluoromethyl)pyridine
CID 145012968
2,7-dibromo-5-methoxy-4-(trifluoromethyl)quinoline
CID 11581790
6-bromo-N,N-dimethyl-4-(trifluoromethyl)pyridin-2-amine
CID 150570781
6-bromo-2-(bromomethyl)-3-(difluoromethyl)-4-(trifluoromethyl)pyridine
CID 130070180
5-bromo-1-chloro-2-fluoro-3-(trifluoromethyl)benzene
CID 45358382
4-fluoro-3-methyl-5-(trifluoromethyl)aniline
CID 86277674

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-fluoro-2-methyl-4-(trifluoromethyl)pyridine?
The IUPAC name of 6-bromo-3-fluoro-2-methyl-4-(trifluoromethyl)pyridine (CID 83488601) is 6-bromo-3-fluoro-2-methyl-4-(trifluoromethyl)pyridine.
What is the SMILES notation for 6-bromo-3-fluoro-2-methyl-4-(trifluoromethyl)pyridine?
The canonical SMILES for 6-bromo-3-fluoro-2-methyl-4-(trifluoromethyl)pyridine is Cc1nc(Br)cc(C(F)(F)F)c1F.
What is the InChIKey of 6-bromo-3-fluoro-2-methyl-4-(trifluoromethyl)pyridine?
The InChIKey is ZNWUVIHKINDMKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrF4N/c1-3-6(9)4(7(10,11)12)2-5(8)13-3/h2H,1H3.
What are the key properties of 6-bromo-3-fluoro-2-methyl-4-(trifluoromethyl)pyridine?
6-bromo-3-fluoro-2-methyl-4-(trifluoromethyl)pyridine has a molecular weight of 258.01 g/mol, XLogP of 3.31, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-fluoro-2-methyl-4-(trifluoromethyl)pyridine is sourced from PubChem (CID 83488601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).