2-bromo-5-[3-chloro-2-(trifluoromethyl)phenyl]pyridine

C12H6BrClF3N — CID 173100617

IUPAC2-bromo-5-[3-chloro-2-(trifluoromethyl)phenyl]pyridine
SMILESFC(F)(F)c1c(Cl)cccc1-c1ccc(Br)nc1
InChIInChI=1S/C12H6BrClF3N/c13-10-5-4-7(6-18-10)8-2-1-3-9(14)11(8)12(15,16)17/h1-6H
InChIKeyFNGGDDQGXXSRHA-UHFFFAOYSA-N
MW336.54 g/mol
LogP5.18
Rot. Bonds1

About 2-bromo-5-[3-chloro-2-(trifluoromethyl)phenyl]pyridine

2-bromo-5-[3-chloro-2-(trifluoromethyl)phenyl]pyridine (PubChem CID 173100617) has the molecular formula C12H6BrClF3N and a molecular weight of 336.54 g/mol. Its IUPAC name is 2-bromo-5-[3-chloro-2-(trifluoromethyl)phenyl]pyridine.

Molecular Properties

Compound Name2-bromo-5-[3-chloro-2-(trifluoromethyl)phenyl]pyridine
PubChem CID173100617
Molecular FormulaC12H6BrClF3N
Molecular Weight336.54 g/mol
Exact Mass334.93
IUPAC Name2-bromo-5-[3-chloro-2-(trifluoromethyl)phenyl]pyridine
SMILESFC(F)(F)c1c(Cl)cccc1-c1ccc(Br)nc1
InChIInChI=1S/C12H6BrClF3N/c13-10-5-4-7(6-18-10)8-2-1-3-9(14)11(8)12(15,16)17/h1-6H
InChIKeyFNGGDDQGXXSRHA-UHFFFAOYSA-N
XLogP5.18
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.54
LogP ≤ 55.18
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-{[(1E)-4-chloro-2,3-dihydro-1H-inden-1-ylidene]methyl}pyridine
CID 6539784
(3-Pyridylmethylene)indane 25b
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5-Chloroisoquinoline
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2-Chloro-5-phenylpyridine
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4-Bromo-1-chloroisoquinoline
CID 459766
8-Chloroisoquinoline
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CID 2762875
8-Bromo-5-chloroisoquinoline
CID 17750605
6-Bromo-1-chloro-isoquinoline
CID 22250244
5-Bromo-8-chloroisoquinoline
CID 46839903
5-Bromo-1-chloroisoquinoline
CID 21192497

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[3-chloro-2-(trifluoromethyl)phenyl]pyridine?
The IUPAC name of 2-bromo-5-[3-chloro-2-(trifluoromethyl)phenyl]pyridine (CID 173100617) is 2-bromo-5-[3-chloro-2-(trifluoromethyl)phenyl]pyridine.
What is the SMILES notation for 2-bromo-5-[3-chloro-2-(trifluoromethyl)phenyl]pyridine?
The canonical SMILES for 2-bromo-5-[3-chloro-2-(trifluoromethyl)phenyl]pyridine is FC(F)(F)c1c(Cl)cccc1-c1ccc(Br)nc1.
What is the InChIKey of 2-bromo-5-[3-chloro-2-(trifluoromethyl)phenyl]pyridine?
The InChIKey is FNGGDDQGXXSRHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6BrClF3N/c13-10-5-4-7(6-18-10)8-2-1-3-9(14)11(8)12(15,16)17/h1-6H.
What are the key properties of 2-bromo-5-[3-chloro-2-(trifluoromethyl)phenyl]pyridine?
2-bromo-5-[3-chloro-2-(trifluoromethyl)phenyl]pyridine has a molecular weight of 336.54 g/mol, XLogP of 5.18, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-[3-chloro-2-(trifluoromethyl)phenyl]pyridine is sourced from PubChem (CID 173100617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).