4-bromo-2-fluoro-1H-pyridine-2-carbonitrile

C6H4BrFN2 — CID 151874034

IUPAC4-bromo-2-fluoro-1H-pyridine-2-carbonitrile
SMILESN#CC1(F)C=C(Br)C=CN1
InChIInChI=1S/C6H4BrFN2/c7-5-1-2-10-6(8,3-5)4-9/h1-3,10H
InChIKeySNHOUAXUTXREJO-UHFFFAOYSA-N
MW203.01 g/mol
LogP1.57
Rot. Bonds

About 4-bromo-2-fluoro-1H-pyridine-2-carbonitrile

4-bromo-2-fluoro-1H-pyridine-2-carbonitrile (PubChem CID 151874034) has the molecular formula C6H4BrFN2 and a molecular weight of 203.01 g/mol. Its IUPAC name is 4-bromo-2-fluoro-1H-pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-bromo-2-fluoro-1H-pyridine-2-carbonitrile
PubChem CID151874034
Molecular FormulaC6H4BrFN2
Molecular Weight203.01 g/mol
Exact Mass201.95
IUPAC Name4-bromo-2-fluoro-1H-pyridine-2-carbonitrile
SMILESN#CC1(F)C=C(Br)C=CN1
InChIInChI=1S/C6H4BrFN2/c7-5-1-2-10-6(8,3-5)4-9/h1-3,10H
InChIKeySNHOUAXUTXREJO-UHFFFAOYSA-N
XLogP1.57
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.01
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluoro-1H-pyridine-2-carbonitrile?
The IUPAC name of 4-bromo-2-fluoro-1H-pyridine-2-carbonitrile (CID 151874034) is 4-bromo-2-fluoro-1H-pyridine-2-carbonitrile.
What is the SMILES notation for 4-bromo-2-fluoro-1H-pyridine-2-carbonitrile?
The canonical SMILES for 4-bromo-2-fluoro-1H-pyridine-2-carbonitrile is N#CC1(F)C=C(Br)C=CN1.
What is the InChIKey of 4-bromo-2-fluoro-1H-pyridine-2-carbonitrile?
The InChIKey is SNHOUAXUTXREJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrFN2/c7-5-1-2-10-6(8,3-5)4-9/h1-3,10H.
What are the key properties of 4-bromo-2-fluoro-1H-pyridine-2-carbonitrile?
4-bromo-2-fluoro-1H-pyridine-2-carbonitrile has a molecular weight of 203.01 g/mol, XLogP of 1.57, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-fluoro-1H-pyridine-2-carbonitrile is sourced from PubChem (CID 151874034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).