1,4-dimethyl-3,6-dihydro-2H-pyridine-2-carbonitrile;hydrochloride

C8H13ClN2 — CID 13070746

IUPAC1,4-dimethyl-3,6-dihydro-2H-pyridine-2-carbonitrile;hydrochloride
SMILESCC1=CCN(C)C(C#N)C1.Cl
InChIInChI=1S/C8H12N2.ClH/c1-7-3-4-10(2)8(5-7)6-9;/h3,8H,4-5H2,1-2H3;1H
InChIKeyDGERRQBZNJLMDO-UHFFFAOYSA-N
MW172.66 g/mol
LogP1.58
Rot. Bonds

About 1,4-dimethyl-3,6-dihydro-2H-pyridine-2-carbonitrile;hydrochloride

1,4-dimethyl-3,6-dihydro-2H-pyridine-2-carbonitrile;hydrochloride (PubChem CID 13070746) has the molecular formula C8H13ClN2 and a molecular weight of 172.66 g/mol. Its IUPAC name is 1,4-dimethyl-3,6-dihydro-2H-pyridine-2-carbonitrile;hydrochloride.

Molecular Properties

Compound Name1,4-dimethyl-3,6-dihydro-2H-pyridine-2-carbonitrile;hydrochloride
PubChem CID13070746
Molecular FormulaC8H13ClN2
Molecular Weight172.66 g/mol
Exact Mass172.08
IUPAC Name1,4-dimethyl-3,6-dihydro-2H-pyridine-2-carbonitrile;hydrochloride
SMILESCC1=CCN(C)C(C#N)C1.Cl
InChIInChI=1S/C8H12N2.ClH/c1-7-3-4-10(2)8(5-7)6-9;/h3,8H,4-5H2,1-2H3;1H
InChIKeyDGERRQBZNJLMDO-UHFFFAOYSA-N
XLogP1.58
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.66
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-3,6-dihydro-2H-pyridine-2-carbonitrile;hydrochloride?
The IUPAC name of 1,4-dimethyl-3,6-dihydro-2H-pyridine-2-carbonitrile;hydrochloride (CID 13070746) is 1,4-dimethyl-3,6-dihydro-2H-pyridine-2-carbonitrile;hydrochloride.
What is the SMILES notation for 1,4-dimethyl-3,6-dihydro-2H-pyridine-2-carbonitrile;hydrochloride?
The canonical SMILES for 1,4-dimethyl-3,6-dihydro-2H-pyridine-2-carbonitrile;hydrochloride is CC1=CCN(C)C(C#N)C1.Cl.
What is the InChIKey of 1,4-dimethyl-3,6-dihydro-2H-pyridine-2-carbonitrile;hydrochloride?
The InChIKey is DGERRQBZNJLMDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2.ClH/c1-7-3-4-10(2)8(5-7)6-9;/h3,8H,4-5H2,1-2H3;1H.
What are the key properties of 1,4-dimethyl-3,6-dihydro-2H-pyridine-2-carbonitrile;hydrochloride?
1,4-dimethyl-3,6-dihydro-2H-pyridine-2-carbonitrile;hydrochloride has a molecular weight of 172.66 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 1,4-dimethyl-3,6-dihydro-2H-pyridine-2-carbonitrile;hydrochloride is sourced from PubChem (CID 13070746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).