2-bromo-1-fluoro-3-(trifluoromethyl)-2H-pyridine

C6H4BrF4N — CID 150030366

IUPAC2-bromo-1-fluoro-3-(trifluoromethyl)-2H-pyridine
SMILESFN1C=CC=C(C(F)(F)F)C1Br
InChIInChI=1S/C6H4BrF4N/c7-5-4(6(8,9)10)2-1-3-12(5)11/h1-3,5H
InChIKeyDHCXCRRNXJCINT-UHFFFAOYSA-N
MW246.00 g/mol
LogP2.91
Rot. Bonds

About 2-bromo-1-fluoro-3-(trifluoromethyl)-2H-pyridine

2-bromo-1-fluoro-3-(trifluoromethyl)-2H-pyridine (PubChem CID 150030366) has the molecular formula C6H4BrF4N and a molecular weight of 246.00 g/mol. Its IUPAC name is 2-bromo-1-fluoro-3-(trifluoromethyl)-2H-pyridine.

Molecular Properties

Compound Name2-bromo-1-fluoro-3-(trifluoromethyl)-2H-pyridine
PubChem CID150030366
Molecular FormulaC6H4BrF4N
Molecular Weight246.00 g/mol
Exact Mass244.95
IUPAC Name2-bromo-1-fluoro-3-(trifluoromethyl)-2H-pyridine
SMILESFN1C=CC=C(C(F)(F)F)C1Br
InChIInChI=1S/C6H4BrF4N/c7-5-4(6(8,9)10)2-1-3-12(5)11/h1-3,5H
InChIKeyDHCXCRRNXJCINT-UHFFFAOYSA-N
XLogP2.91
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.00
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

2-bromo-1-ethyl-3-(trifluoromethyl)-2H-pyridine
CID 174890502

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-fluoro-3-(trifluoromethyl)-2H-pyridine?
The IUPAC name of 2-bromo-1-fluoro-3-(trifluoromethyl)-2H-pyridine (CID 150030366) is 2-bromo-1-fluoro-3-(trifluoromethyl)-2H-pyridine.
What is the SMILES notation for 2-bromo-1-fluoro-3-(trifluoromethyl)-2H-pyridine?
The canonical SMILES for 2-bromo-1-fluoro-3-(trifluoromethyl)-2H-pyridine is FN1C=CC=C(C(F)(F)F)C1Br.
What is the InChIKey of 2-bromo-1-fluoro-3-(trifluoromethyl)-2H-pyridine?
The InChIKey is DHCXCRRNXJCINT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrF4N/c7-5-4(6(8,9)10)2-1-3-12(5)11/h1-3,5H.
What are the key properties of 2-bromo-1-fluoro-3-(trifluoromethyl)-2H-pyridine?
2-bromo-1-fluoro-3-(trifluoromethyl)-2H-pyridine has a molecular weight of 246.00 g/mol, XLogP of 2.91, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-fluoro-3-(trifluoromethyl)-2H-pyridine is sourced from PubChem (CID 150030366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).