3-bromo-4-(furan-2-yl)pyridine-2-carbonitrile

C10H5BrN2O — CID 130138674

IUPAC3-bromo-4-(furan-2-yl)pyridine-2-carbonitrile
SMILESN#Cc1nccc(-c2ccco2)c1Br
InChIInChI=1S/C10H5BrN2O/c11-10-7(9-2-1-5-14-9)3-4-13-8(10)6-12/h1-5H
InChIKeyZZJHSSDHRKVOHO-UHFFFAOYSA-N
MW249.07 g/mol
LogP2.98
Rot. Bonds1

About 3-bromo-4-(furan-2-yl)pyridine-2-carbonitrile

3-bromo-4-(furan-2-yl)pyridine-2-carbonitrile (PubChem CID 130138674) has the molecular formula C10H5BrN2O and a molecular weight of 249.07 g/mol. Its IUPAC name is 3-bromo-4-(furan-2-yl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-bromo-4-(furan-2-yl)pyridine-2-carbonitrile
PubChem CID130138674
Molecular FormulaC10H5BrN2O
Molecular Weight249.07 g/mol
Exact Mass247.96
IUPAC Name3-bromo-4-(furan-2-yl)pyridine-2-carbonitrile
SMILESN#Cc1nccc(-c2ccco2)c1Br
InChIInChI=1S/C10H5BrN2O/c11-10-7(9-2-1-5-14-9)3-4-13-8(10)6-12/h1-5H
InChIKeyZZJHSSDHRKVOHO-UHFFFAOYSA-N
XLogP2.98
TPSA49.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.07
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-4-phenylpyridine-2-carbonitrile
CID 130138671
3-bromopyridine-2,4-dicarbonitrile
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3-bromo-4-thiophen-3-ylpyridine-2-carbonitrile
CID 130138673
2-(2,4-dibromo-3-methylphenyl)furan
CID 168526027
3-(furan-2-ylmethylamino)pyrazine-2-carbonitrile
CID 62671433
5-bromo-2-(furan-2-yl)-4-methoxybenzonitrile
CID 168528041
methyl 3-bromo-2-cyanopyridine-4-carboxylate
CID 131187881
3-bromo-4-fluoro-2-(furan-2-yl)benzonitrile
CID 168525732
2-fluoro-6-(furan-2-yl)benzonitrile
CID 114898559
3-(2-bromopyrimidin-5-yl)pyridine-2-carbonitrile
CID 170449856
2-amino-4-(furan-2-yl)furan-3-carbonitrile
CID 22145328
2,3-dichloro-6-(furan-2-yl)benzonitrile
CID 168528808

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-(furan-2-yl)pyridine-2-carbonitrile?
The IUPAC name of 3-bromo-4-(furan-2-yl)pyridine-2-carbonitrile (CID 130138674) is 3-bromo-4-(furan-2-yl)pyridine-2-carbonitrile.
What is the SMILES notation for 3-bromo-4-(furan-2-yl)pyridine-2-carbonitrile?
The canonical SMILES for 3-bromo-4-(furan-2-yl)pyridine-2-carbonitrile is N#Cc1nccc(-c2ccco2)c1Br.
What is the InChIKey of 3-bromo-4-(furan-2-yl)pyridine-2-carbonitrile?
The InChIKey is ZZJHSSDHRKVOHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrN2O/c11-10-7(9-2-1-5-14-9)3-4-13-8(10)6-12/h1-5H.
What are the key properties of 3-bromo-4-(furan-2-yl)pyridine-2-carbonitrile?
3-bromo-4-(furan-2-yl)pyridine-2-carbonitrile has a molecular weight of 249.07 g/mol, XLogP of 2.98, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-(furan-2-yl)pyridine-2-carbonitrile is sourced from PubChem (CID 130138674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).