pyridine-2-carbonitrile;pyridine-3-carbonitrile

C12H8N4 — CID 23214769

IUPACpyridine-2-carbonitrile;pyridine-3-carbonitrile
SMILESN#Cc1ccccn1.N#Cc1cccnc1
InChIInChI=1S/2C6H4N2/c7-4-6-2-1-3-8-5-6;7-5-6-3-1-2-4-8-6/h1-3,5H;1-4H
InChIKeyKMZJZEMCGCWSJO-UHFFFAOYSA-N
MW208.22 g/mol
LogP1.91
Rot. Bonds

About pyridine-2-carbonitrile;pyridine-3-carbonitrile

pyridine-2-carbonitrile;pyridine-3-carbonitrile (PubChem CID 23214769) has the molecular formula C12H8N4 and a molecular weight of 208.22 g/mol. Its IUPAC name is pyridine-2-carbonitrile;pyridine-3-carbonitrile.

Molecular Properties

Compound Namepyridine-2-carbonitrile;pyridine-3-carbonitrile
PubChem CID23214769
Molecular FormulaC12H8N4
Molecular Weight208.22 g/mol
Exact Mass208.07
IUPAC Namepyridine-2-carbonitrile;pyridine-3-carbonitrile
SMILESN#Cc1ccccn1.N#Cc1cccnc1
InChIInChI=1S/2C6H4N2/c7-4-6-2-1-3-8-5-6;7-5-6-3-1-2-4-8-6/h1-3,5H;1-4H
InChIKeyKMZJZEMCGCWSJO-UHFFFAOYSA-N
XLogP1.91
TPSA73.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

pyridine-2-carbonitrile;zinc
CID 161067493
ethane;pyridine-2-carbonitrile
CID 90851694
dichloroplatinum;bis(pyridine-3-carbonitrile)
CID 4683431
sodium;methanolate;pyridine-2-carbonitrile
CID 174929880
dicopper;bis(pyridine-2-carbonitrile);tetraacetate
CID 139086400
pyridine;pyrimidine-5-carbonitrile
CID 159696689
5-deuteriopyridine-2-carbonitrile
CID 175824386
6-(pyridin-3-ylamino)pyridine-3-carbonitrile
CID 24690625
2-ethynylpyridine;hydrate
CID 141238736
3-(pyridin-2-ylmethoxy)benzonitrile
CID 24695986
tetrakis(benzonitrile);palladium(2+);dichloride
CID 173091067
5-pyridin-2-ylsulfanylpyridine-2-carbonitrile
CID 115489929

Frequently Asked Questions

What is the IUPAC name of pyridine-2-carbonitrile;pyridine-3-carbonitrile?
The IUPAC name of pyridine-2-carbonitrile;pyridine-3-carbonitrile (CID 23214769) is pyridine-2-carbonitrile;pyridine-3-carbonitrile.
What is the SMILES notation for pyridine-2-carbonitrile;pyridine-3-carbonitrile?
The canonical SMILES for pyridine-2-carbonitrile;pyridine-3-carbonitrile is N#Cc1ccccn1.N#Cc1cccnc1.
What is the InChIKey of pyridine-2-carbonitrile;pyridine-3-carbonitrile?
The InChIKey is KMZJZEMCGCWSJO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H4N2/c7-4-6-2-1-3-8-5-6;7-5-6-3-1-2-4-8-6/h1-3,5H;1-4H.
What are the key properties of pyridine-2-carbonitrile;pyridine-3-carbonitrile?
pyridine-2-carbonitrile;pyridine-3-carbonitrile has a molecular weight of 208.22 g/mol, XLogP of 1.91, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyridine-2-carbonitrile;pyridine-3-carbonitrile is sourced from PubChem (CID 23214769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).