pyrimidine-2-carbonitrile;hydrochloride

C5H4ClN3 — CID 70084001

IUPACpyrimidine-2-carbonitrile;hydrochloride
SMILESCl.N#Cc1ncccn1
InChIInChI=1S/C5H3N3.ClH/c6-4-5-7-2-1-3-8-5;/h1-3H;1H
InChIKeyZXVOREGVVAHISH-UHFFFAOYSA-N
MW141.56 g/mol
LogP0.77
Rot. Bonds

About pyrimidine-2-carbonitrile;hydrochloride

pyrimidine-2-carbonitrile;hydrochloride (PubChem CID 70084001) has the molecular formula C5H4ClN3 and a molecular weight of 141.56 g/mol. Its IUPAC name is pyrimidine-2-carbonitrile;hydrochloride.

Molecular Properties

Compound Namepyrimidine-2-carbonitrile;hydrochloride
PubChem CID70084001
Molecular FormulaC5H4ClN3
Molecular Weight141.56 g/mol
Exact Mass141.01
IUPAC Namepyrimidine-2-carbonitrile;hydrochloride
SMILESCl.N#Cc1ncccn1
InChIInChI=1S/C5H3N3.ClH/c6-4-5-7-2-1-3-8-5;/h1-3H;1H
InChIKeyZXVOREGVVAHISH-UHFFFAOYSA-N
XLogP0.77
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.56
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of pyrimidine-2-carbonitrile;hydrochloride?
The IUPAC name of pyrimidine-2-carbonitrile;hydrochloride (CID 70084001) is pyrimidine-2-carbonitrile;hydrochloride.
What is the SMILES notation for pyrimidine-2-carbonitrile;hydrochloride?
The canonical SMILES for pyrimidine-2-carbonitrile;hydrochloride is Cl.N#Cc1ncccn1.
What is the InChIKey of pyrimidine-2-carbonitrile;hydrochloride?
The InChIKey is ZXVOREGVVAHISH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3N3.ClH/c6-4-5-7-2-1-3-8-5;/h1-3H;1H.
What are the key properties of pyrimidine-2-carbonitrile;hydrochloride?
pyrimidine-2-carbonitrile;hydrochloride has a molecular weight of 141.56 g/mol, XLogP of 0.77, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyrimidine-2-carbonitrile;hydrochloride is sourced from PubChem (CID 70084001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).