3-methyl-2H-pyridine-3-carbonitrile;hydrochloride

C7H9ClN2 — CID 156700989

IUPAC3-methyl-2H-pyridine-3-carbonitrile;hydrochloride
SMILESCC1(C#N)C=CC=NC1.Cl
InChIInChI=1S/C7H8N2.ClH/c1-7(5-8)3-2-4-9-6-7;/h2-4H,6H2,1H3;1H
InChIKeyNLNOZUZXIBBICH-UHFFFAOYSA-N
MW156.62 g/mol
LogP1.58
Rot. Bonds

About 3-methyl-2H-pyridine-3-carbonitrile;hydrochloride

3-methyl-2H-pyridine-3-carbonitrile;hydrochloride (PubChem CID 156700989) has the molecular formula C7H9ClN2 and a molecular weight of 156.62 g/mol. Its IUPAC name is 3-methyl-2H-pyridine-3-carbonitrile;hydrochloride.

Molecular Properties

Compound Name3-methyl-2H-pyridine-3-carbonitrile;hydrochloride
PubChem CID156700989
Molecular FormulaC7H9ClN2
Molecular Weight156.62 g/mol
Exact Mass156.05
IUPAC Name3-methyl-2H-pyridine-3-carbonitrile;hydrochloride
SMILESCC1(C#N)C=CC=NC1.Cl
InChIInChI=1S/C7H8N2.ClH/c1-7(5-8)3-2-4-9-6-7;/h2-4H,6H2,1H3;1H
InChIKeyNLNOZUZXIBBICH-UHFFFAOYSA-N
XLogP1.58
TPSA36.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.62
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2H-pyridine-3-carbonitrile;hydrochloride?
The IUPAC name of 3-methyl-2H-pyridine-3-carbonitrile;hydrochloride (CID 156700989) is 3-methyl-2H-pyridine-3-carbonitrile;hydrochloride.
What is the SMILES notation for 3-methyl-2H-pyridine-3-carbonitrile;hydrochloride?
The canonical SMILES for 3-methyl-2H-pyridine-3-carbonitrile;hydrochloride is CC1(C#N)C=CC=NC1.Cl.
What is the InChIKey of 3-methyl-2H-pyridine-3-carbonitrile;hydrochloride?
The InChIKey is NLNOZUZXIBBICH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2.ClH/c1-7(5-8)3-2-4-9-6-7;/h2-4H,6H2,1H3;1H.
What are the key properties of 3-methyl-2H-pyridine-3-carbonitrile;hydrochloride?
3-methyl-2H-pyridine-3-carbonitrile;hydrochloride has a molecular weight of 156.62 g/mol, XLogP of 1.58, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2H-pyridine-3-carbonitrile;hydrochloride is sourced from PubChem (CID 156700989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).