4-(5-bromofuran-2-yl)pyridine-2-carbonitrile

C10H5BrN2O — CID 90318369

IUPAC4-(5-bromofuran-2-yl)pyridine-2-carbonitrile
SMILESN#Cc1cc(-c2ccc(Br)o2)ccn1
InChIInChI=1S/C10H5BrN2O/c11-10-2-1-9(14-10)7-3-4-13-8(5-7)6-12/h1-5H
InChIKeyAAOUCIVLCNULFY-UHFFFAOYSA-N
MW249.07 g/mol
LogP2.98
Rot. Bonds1

About 4-(5-bromofuran-2-yl)pyridine-2-carbonitrile

4-(5-bromofuran-2-yl)pyridine-2-carbonitrile (PubChem CID 90318369) has the molecular formula C10H5BrN2O and a molecular weight of 249.07 g/mol. Its IUPAC name is 4-(5-bromofuran-2-yl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-(5-bromofuran-2-yl)pyridine-2-carbonitrile
PubChem CID90318369
Molecular FormulaC10H5BrN2O
Molecular Weight249.07 g/mol
Exact Mass247.96
IUPAC Name4-(5-bromofuran-2-yl)pyridine-2-carbonitrile
SMILESN#Cc1cc(-c2ccc(Br)o2)ccn1
InChIInChI=1S/C10H5BrN2O/c11-10-2-1-9(14-10)7-3-4-13-8(5-7)6-12/h1-5H
InChIKeyAAOUCIVLCNULFY-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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Frequently Asked Questions

What is the IUPAC name of 4-(5-bromofuran-2-yl)pyridine-2-carbonitrile?
The IUPAC name of 4-(5-bromofuran-2-yl)pyridine-2-carbonitrile (CID 90318369) is 4-(5-bromofuran-2-yl)pyridine-2-carbonitrile.
What is the SMILES notation for 4-(5-bromofuran-2-yl)pyridine-2-carbonitrile?
The canonical SMILES for 4-(5-bromofuran-2-yl)pyridine-2-carbonitrile is N#Cc1cc(-c2ccc(Br)o2)ccn1.
What is the InChIKey of 4-(5-bromofuran-2-yl)pyridine-2-carbonitrile?
The InChIKey is AAOUCIVLCNULFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrN2O/c11-10-2-1-9(14-10)7-3-4-13-8(5-7)6-12/h1-5H.
What are the key properties of 4-(5-bromofuran-2-yl)pyridine-2-carbonitrile?
4-(5-bromofuran-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 4-(5-bromofuran-2-yl)pyridine-2-carbonitrile is sourced from PubChem (CID 90318369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).