pyridine;pyrimidine-5-carbonitrile

C10H8N4 — CID 159696689

IUPACpyridine;pyrimidine-5-carbonitrile
SMILESN#Cc1cncnc1.c1ccncc1
InChIInChI=1S/C5H3N3.C5H5N/c6-1-5-2-7-4-8-3-5;1-2-4-6-5-3-1/h2-4H;1-5H
InChIKeyMXCGIUDLNYADHN-UHFFFAOYSA-N
MW184.20 g/mol
LogP1.43
Rot. Bonds

About pyridine;pyrimidine-5-carbonitrile

pyridine;pyrimidine-5-carbonitrile (PubChem CID 159696689) has the molecular formula C10H8N4 and a molecular weight of 184.20 g/mol. Its IUPAC name is pyridine;pyrimidine-5-carbonitrile.

Molecular Properties

Compound Namepyridine;pyrimidine-5-carbonitrile
PubChem CID159696689
Molecular FormulaC10H8N4
Molecular Weight184.20 g/mol
Exact Mass184.07
IUPAC Namepyridine;pyrimidine-5-carbonitrile
SMILESN#Cc1cncnc1.c1ccncc1
InChIInChI=1S/C5H3N3.C5H5N/c6-1-5-2-7-4-8-3-5;1-2-4-6-5-3-1/h2-4H;1-5H
InChIKeyMXCGIUDLNYADHN-UHFFFAOYSA-N
XLogP1.43
TPSA62.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze pyridine;pyrimidine-5-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

chromium;bis(pyridine)
CID 14201778
1-oxa-14-thia-7,11-diazacycloicosa-2,4,6,8,10,12,15,17,19-nonaene-9-carbonitrile
CID 154452184
dichloroplatinum;bis(pyridine-3-carbonitrile)
CID 4683431
4-[pyridin-3-yl(pyrimidin-5-yl)amino]benzonitrile
CID 90710426
pyrazine;pyridine;pyrimidine
CID 19013313
bis(pyridine);hydrate;hydrochloride
CID 173340794
1,5-diazecine
CID 53440348
pyridine
CID 67755510
pyridine
CID 160878650
pyridine-2-carbonitrile;pyridine-3-carbonitrile
CID 23214769
2-(pyridin-4-ylamino)pyrimidine-5-carbonitrile
CID 141441581
cobalt(2+);bis(pyridine)
CID 71357223

Frequently Asked Questions

What is the IUPAC name of pyridine;pyrimidine-5-carbonitrile?
The IUPAC name of pyridine;pyrimidine-5-carbonitrile (CID 159696689) is pyridine;pyrimidine-5-carbonitrile.
What is the SMILES notation for pyridine;pyrimidine-5-carbonitrile?
The canonical SMILES for pyridine;pyrimidine-5-carbonitrile is N#Cc1cncnc1.c1ccncc1.
What is the InChIKey of pyridine;pyrimidine-5-carbonitrile?
The InChIKey is MXCGIUDLNYADHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3N3.C5H5N/c6-1-5-2-7-4-8-3-5;1-2-4-6-5-3-1/h2-4H;1-5H.
What are the key properties of pyridine;pyrimidine-5-carbonitrile?
pyridine;pyrimidine-5-carbonitrile has a molecular weight of 184.20 g/mol, XLogP of 1.43, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyridine;pyrimidine-5-carbonitrile is sourced from PubChem (CID 159696689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).