pyridine-3-carbonitrile

C6H4N2 — CID 79

IUPACpyridine-3-carbonitrile
SMILESN#Cc1cccnc1
InChIInChI=1S/C6H4N2/c7-4-6-2-1-3-8-5-6/h1-3,5H
InChIKeyGZPHSAQLYPIAIN-UHFFFAOYSA-N
MW104.11 g/mol
LogP0.95
Rot. Bonds

About pyridine-3-carbonitrile

pyridine-3-carbonitrile (PubChem CID 79) has the molecular formula C6H4N2 and a molecular weight of 104.11 g/mol. Its IUPAC name is pyridine-3-carbonitrile.

Molecular Properties

Compound Namepyridine-3-carbonitrile
PubChem CID79
Molecular FormulaC6H4N2
Molecular Weight104.11 g/mol
Exact Mass104.04
IUPAC Namepyridine-3-carbonitrile
SMILESN#Cc1cccnc1
InChIInChI=1S/C6H4N2/c7-4-6-2-1-3-8-5-6/h1-3,5H
InChIKeyGZPHSAQLYPIAIN-UHFFFAOYSA-N
XLogP0.95
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.11
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of pyridine-3-carbonitrile?
The IUPAC name of pyridine-3-carbonitrile (CID 79) is pyridine-3-carbonitrile.
What is the SMILES notation for pyridine-3-carbonitrile?
The canonical SMILES for pyridine-3-carbonitrile is N#Cc1cccnc1.
What is the InChIKey of pyridine-3-carbonitrile?
The InChIKey is GZPHSAQLYPIAIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N2/c7-4-6-2-1-3-8-5-6/h1-3,5H.
What are the key properties of pyridine-3-carbonitrile?
pyridine-3-carbonitrile has a molecular weight of 104.11 g/mol, XLogP of 0.95, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pyridine-3-carbonitrile is sourced from PubChem (CID 79), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).