3-bromo-2-fluoropyridine-4-carbonitrile

C6H2BrFN2 — CID 121227725

IUPAC3-bromo-2-fluoropyridine-4-carbonitrile
SMILESN#Cc1ccnc(F)c1Br
InChIInChI=1S/C6H2BrFN2/c7-5-4(3-9)1-2-10-6(5)8/h1-2H
InChIKeyGPHPXMDXYYFSJY-UHFFFAOYSA-N
MW201.00 g/mol
LogP1.85
Rot. Bonds

About 3-bromo-2-fluoropyridine-4-carbonitrile

3-bromo-2-fluoropyridine-4-carbonitrile (PubChem CID 121227725) has the molecular formula C6H2BrFN2 and a molecular weight of 201.00 g/mol. Its IUPAC name is 3-bromo-2-fluoropyridine-4-carbonitrile.

Molecular Properties

Compound Name3-bromo-2-fluoropyridine-4-carbonitrile
PubChem CID121227725
Molecular FormulaC6H2BrFN2
Molecular Weight201.00 g/mol
Exact Mass199.94
IUPAC Name3-bromo-2-fluoropyridine-4-carbonitrile
SMILESN#Cc1ccnc(F)c1Br
InChIInChI=1S/C6H2BrFN2/c7-5-4(3-9)1-2-10-6(5)8/h1-2H
InChIKeyGPHPXMDXYYFSJY-UHFFFAOYSA-N
XLogP1.85
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.00
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-fluoropyridine-4-carbonitrile?
The IUPAC name of 3-bromo-2-fluoropyridine-4-carbonitrile (CID 121227725) is 3-bromo-2-fluoropyridine-4-carbonitrile.
What is the SMILES notation for 3-bromo-2-fluoropyridine-4-carbonitrile?
The canonical SMILES for 3-bromo-2-fluoropyridine-4-carbonitrile is N#Cc1ccnc(F)c1Br.
What is the InChIKey of 3-bromo-2-fluoropyridine-4-carbonitrile?
The InChIKey is GPHPXMDXYYFSJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2BrFN2/c7-5-4(3-9)1-2-10-6(5)8/h1-2H.
What are the key properties of 3-bromo-2-fluoropyridine-4-carbonitrile?
3-bromo-2-fluoropyridine-4-carbonitrile has a molecular weight of 201.00 g/mol, XLogP of 1.85, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-fluoropyridine-4-carbonitrile is sourced from PubChem (CID 121227725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).