2-bromo-3-chloro-5-(trifluoromethyl)pyridine

C6H2BrClF3N — CID 2736237

IUPAC2-bromo-3-chloro-5-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cnc(Br)c(Cl)c1
InChIInChI=1S/C6H2BrClF3N/c7-5-4(8)1-3(2-12-5)6(9,10)11/h1-2H
InChIKeySMTKGMYGLYWNDL-UHFFFAOYSA-N
MW260.44 g/mol
LogP3.52
Rot. Bonds

About 2-bromo-3-chloro-5-(trifluoromethyl)pyridine

2-bromo-3-chloro-5-(trifluoromethyl)pyridine (PubChem CID 2736237) has the molecular formula C6H2BrClF3N and a molecular weight of 260.44 g/mol. Its IUPAC name is 2-bromo-3-chloro-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-bromo-3-chloro-5-(trifluoromethyl)pyridine
PubChem CID2736237
Molecular FormulaC6H2BrClF3N
Molecular Weight260.44 g/mol
Exact Mass258.90
IUPAC Name2-bromo-3-chloro-5-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cnc(Br)c(Cl)c1
InChIInChI=1S/C6H2BrClF3N/c7-5-4(8)1-3(2-12-5)6(9,10)11/h1-2H
InChIKeySMTKGMYGLYWNDL-UHFFFAOYSA-N
XLogP3.52
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.44
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-2-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethenyl]-5-(trifluoromethyl)pyridine
CID 53396566
2-(4-bromo-2,6-dichlorophenoxy)-3-chloro-5-(trifluoromethyl)pyridine
CID 169336505
3-chloro-2-(trifluoromethoxy)-5-(trifluoromethyl)pyridine
CID 175669606
3-chloro-N,N-dimethyl-5-(trifluoromethyl)pyridin-2-amine
CID 14933767
3-chloro-2-methoxy-5-(trifluoromethyl)pyridine;molecular hydrogen
CID 161307255
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,2,2-trifluoroethanone
CID 137346954
3-chloro-2-ethoxy-5-(trifluoromethyl)pyridine
CID 71058681
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanamine;hydrochloride
CID 43810441
1-[2-bromo-5-(trifluoromethyl)-3-pyridinyl]ethanone
CID 133058439
(NZ)-N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methylidene]hydroxylamine
CID 136676474
3-chloro-2-ethylsulfanyl-5-(trifluoromethyl)pyridine
CID 112776146
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethylazanium chloride
CID 22637222

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-chloro-5-(trifluoromethyl)pyridine?
The IUPAC name of 2-bromo-3-chloro-5-(trifluoromethyl)pyridine (CID 2736237) is 2-bromo-3-chloro-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-bromo-3-chloro-5-(trifluoromethyl)pyridine?
The canonical SMILES for 2-bromo-3-chloro-5-(trifluoromethyl)pyridine is FC(F)(F)c1cnc(Br)c(Cl)c1.
What is the InChIKey of 2-bromo-3-chloro-5-(trifluoromethyl)pyridine?
The InChIKey is SMTKGMYGLYWNDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2BrClF3N/c7-5-4(8)1-3(2-12-5)6(9,10)11/h1-2H.
What are the key properties of 2-bromo-3-chloro-5-(trifluoromethyl)pyridine?
2-bromo-3-chloro-5-(trifluoromethyl)pyridine has a molecular weight of 260.44 g/mol, XLogP of 3.52, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-chloro-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 2736237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).