5,6-dibromo-3-(difluoromethyl)pyridine-2-carbonitrile

C7H2Br2F2N2 — CID 130098862

IUPAC5,6-dibromo-3-(difluoromethyl)pyridine-2-carbonitrile
SMILESN#Cc1nc(Br)c(Br)cc1C(F)F
InChIInChI=1S/C7H2Br2F2N2/c8-4-1-3(7(10)11)5(2-12)13-6(4)9/h1,7H
InChIKeyAFAAXGOMTPLULY-UHFFFAOYSA-N
MW311.91 g/mol
LogP3.42
Rot. Bonds1

About 5,6-dibromo-3-(difluoromethyl)pyridine-2-carbonitrile

5,6-dibromo-3-(difluoromethyl)pyridine-2-carbonitrile (PubChem CID 130098862) has the molecular formula C7H2Br2F2N2 and a molecular weight of 311.91 g/mol. Its IUPAC name is 5,6-dibromo-3-(difluoromethyl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name5,6-dibromo-3-(difluoromethyl)pyridine-2-carbonitrile
PubChem CID130098862
Molecular FormulaC7H2Br2F2N2
Molecular Weight311.91 g/mol
Exact Mass309.86
IUPAC Name5,6-dibromo-3-(difluoromethyl)pyridine-2-carbonitrile
SMILESN#Cc1nc(Br)c(Br)cc1C(F)F
InChIInChI=1S/C7H2Br2F2N2/c8-4-1-3(7(10)11)5(2-12)13-6(4)9/h1,7H
InChIKeyAFAAXGOMTPLULY-UHFFFAOYSA-N
XLogP3.42
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.91
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5,6-dibromo-3-(difluoromethyl)pyridine-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-6-(bromomethyl)-3-(difluoromethyl)pyridine-2-carbonitrile
CID 130108805
2-[2-bromo-6-cyano-5-(difluoromethyl)-3-pyridinyl]acetic acid
CID 119019827
6-bromo-5-(difluoromethyl)-3-hydroxypyridine-2-carbonitrile
CID 118996006
methyl 2-bromo-6-cyano-5-(difluoromethyl)pyridine-3-carboxylate
CID 130109076
3-bromo-5-(difluoromethyl)-6-methoxypyridine-2-carbonitrile
CID 130108665
methyl 2-[3-bromo-6-cyano-5-(difluoromethyl)-2-pyridinyl]acetate
CID 171029560
6-(bromomethyl)-3-(difluoromethyl)-5-fluoropyridine-2-carbonitrile
CID 118843869
5-chloro-3-(difluoromethyl)-6-fluoropyridine-2-carbonitrile
CID 130070918
3-bromo-6-(difluoromethyl)-5-fluoropyridine-2-carbonitrile
CID 130108569
3-bromo-6-(difluoromethyl)-5-formylpyridine-2-carbonitrile
CID 130108994
3-bromo-6-(difluoromethyl)-5-iodopyridine-2-carbonitrile
CID 130108635
6-(aminomethyl)-3-(difluoromethyl)-5-fluoropyridine-2-carbonitrile
CID 118848258

Frequently Asked Questions

What is the IUPAC name of 5,6-dibromo-3-(difluoromethyl)pyridine-2-carbonitrile?
The IUPAC name of 5,6-dibromo-3-(difluoromethyl)pyridine-2-carbonitrile (CID 130098862) is 5,6-dibromo-3-(difluoromethyl)pyridine-2-carbonitrile.
What is the SMILES notation for 5,6-dibromo-3-(difluoromethyl)pyridine-2-carbonitrile?
The canonical SMILES for 5,6-dibromo-3-(difluoromethyl)pyridine-2-carbonitrile is N#Cc1nc(Br)c(Br)cc1C(F)F.
What is the InChIKey of 5,6-dibromo-3-(difluoromethyl)pyridine-2-carbonitrile?
The InChIKey is AFAAXGOMTPLULY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2Br2F2N2/c8-4-1-3(7(10)11)5(2-12)13-6(4)9/h1,7H.
What are the key properties of 5,6-dibromo-3-(difluoromethyl)pyridine-2-carbonitrile?
5,6-dibromo-3-(difluoromethyl)pyridine-2-carbonitrile has a molecular weight of 311.91 g/mol, XLogP of 3.42, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dibromo-3-(difluoromethyl)pyridine-2-carbonitrile is sourced from PubChem (CID 130098862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).