2-bromo-3-methylpyridine;3-chloro-2-methylpyridine;2-methyl-3-(trifluoromethyl)pyridine

C19H18BrClF3N3 — CID 157346640

IUPAC2-bromo-3-methylpyridine;3-chloro-2-methylpyridine;2-methyl-3-(trifluoromethyl)pyridine
SMILESCc1cccnc1Br.Cc1ncccc1C(F)(F)F.Cc1ncccc1Cl
InChIInChI=1S/C7H6F3N.C6H6BrN.C6H6ClN/c1-5-6(7(8,9)10)3-2-4-11-5;1-5-3-2-4-8-6(5)7;1-5-6(7)3-2-4-8-5/h2-4H,1H3;2*2-4H,1H3
InChIKeyBHAWQYCLYGTYMC-UHFFFAOYSA-N
MW460.73 g/mol
LogP6.60
Rot. Bonds

About 2-bromo-3-methylpyridine;3-chloro-2-methylpyridine;2-methyl-3-(trifluoromethyl)pyridine

2-bromo-3-methylpyridine;3-chloro-2-methylpyridine;2-methyl-3-(trifluoromethyl)pyridine (PubChem CID 157346640) has the molecular formula C19H18BrClF3N3 and a molecular weight of 460.73 g/mol. Its IUPAC name is 2-bromo-3-methylpyridine;3-chloro-2-methylpyridine;2-methyl-3-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-bromo-3-methylpyridine;3-chloro-2-methylpyridine;2-methyl-3-(trifluoromethyl)pyridine
PubChem CID157346640
Molecular FormulaC19H18BrClF3N3
Molecular Weight460.73 g/mol
Exact Mass459.03
IUPAC Name2-bromo-3-methylpyridine;3-chloro-2-methylpyridine;2-methyl-3-(trifluoromethyl)pyridine
SMILESCc1cccnc1Br.Cc1ncccc1C(F)(F)F.Cc1ncccc1Cl
InChIInChI=1S/C7H6F3N.C6H6BrN.C6H6ClN/c1-5-6(7(8,9)10)3-2-4-11-5;1-5-3-2-4-8-6(5)7;1-5-6(7)3-2-4-8-5/h2-4H,1H3;2*2-4H,1H3
InChIKeyBHAWQYCLYGTYMC-UHFFFAOYSA-N
XLogP6.60
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.73
LogP ≤ 56.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-bromo-3-methylpyridine;3-chloro-2-methylpyridine;2-methyl-3-(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

2-methyl-3-(trifluoromethyl)pyridine
CID 14761443
2-bromo-3-methylpyridine;ethane
CID 143610978
2-bromo-3-methylpyridine;zinc
CID 87255964
3-chloro-2-methylpyridine;dichloromethane
CID 174920232
3-chloro-2-methylpyridine;formaldehyde
CID 175449044
[difluoro-(2-methyl-3-pyridinyl)methyl]phosphane
CID 142110745
1,1,1-trifluoro-2-(2-methyl-3-pyridinyl)propan-2-ol
CID 127017192
3-tert-butyl-2-methylpyridine;ethane
CID 90980079
2-(2-methyl-3-pyridinyl)propan-2-ol
CID 45091732
1-chloro-2-(trifluoromethyl)benzene
CID 161495124
bis(2,3-dimethylpyridine);ethane
CID 159594018
1-chloro-2-(trifluoromethyl)benzene
CID 6921

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-methylpyridine;3-chloro-2-methylpyridine;2-methyl-3-(trifluoromethyl)pyridine?
The IUPAC name of 2-bromo-3-methylpyridine;3-chloro-2-methylpyridine;2-methyl-3-(trifluoromethyl)pyridine (CID 157346640) is 2-bromo-3-methylpyridine;3-chloro-2-methylpyridine;2-methyl-3-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-bromo-3-methylpyridine;3-chloro-2-methylpyridine;2-methyl-3-(trifluoromethyl)pyridine?
The canonical SMILES for 2-bromo-3-methylpyridine;3-chloro-2-methylpyridine;2-methyl-3-(trifluoromethyl)pyridine is Cc1cccnc1Br.Cc1ncccc1C(F)(F)F.Cc1ncccc1Cl.
What is the InChIKey of 2-bromo-3-methylpyridine;3-chloro-2-methylpyridine;2-methyl-3-(trifluoromethyl)pyridine?
The InChIKey is BHAWQYCLYGTYMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3N.C6H6BrN.C6H6ClN/c1-5-6(7(8,9)10)3-2-4-11-5;1-5-3-2-4-8-6(5)7;1-5-6(7)3-2-4-8-5/h2-4H,1H3;2*2-4H,1H3.
What are the key properties of 2-bromo-3-methylpyridine;3-chloro-2-methylpyridine;2-methyl-3-(trifluoromethyl)pyridine?
2-bromo-3-methylpyridine;3-chloro-2-methylpyridine;2-methyl-3-(trifluoromethyl)pyridine has a molecular weight of 460.73 g/mol, XLogP of 6.60, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-methylpyridine;3-chloro-2-methylpyridine;2-methyl-3-(trifluoromethyl)pyridine is sourced from PubChem (CID 157346640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).