1,4-dimethyl-2H-pyridine;hydrochloride

C7H12ClN — CID 66971379

IUPAC1,4-dimethyl-2H-pyridine;hydrochloride
SMILESCC1=CCN(C)C=C1.Cl
InChIInChI=1S/C7H11N.ClH/c1-7-3-5-8(2)6-4-7;/h3-5H,6H2,1-2H3;1H
InChIKeyMIBBXJUBNAKLDA-UHFFFAOYSA-N
MW145.63 g/mol
LogP1.81
Rot. Bonds

About 1,4-dimethyl-2H-pyridine;hydrochloride

1,4-dimethyl-2H-pyridine;hydrochloride (PubChem CID 66971379) has the molecular formula C7H12ClN and a molecular weight of 145.63 g/mol. Its IUPAC name is 1,4-dimethyl-2H-pyridine;hydrochloride.

Molecular Properties

Compound Name1,4-dimethyl-2H-pyridine;hydrochloride
PubChem CID66971379
Molecular FormulaC7H12ClN
Molecular Weight145.63 g/mol
Exact Mass145.07
IUPAC Name1,4-dimethyl-2H-pyridine;hydrochloride
SMILESCC1=CCN(C)C=C1.Cl
InChIInChI=1S/C7H11N.ClH/c1-7-3-5-8(2)6-4-7;/h3-5H,6H2,1-2H3;1H
InChIKeyMIBBXJUBNAKLDA-UHFFFAOYSA-N
XLogP1.81
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.63
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1,4-dimethyl-2H-pyridine;hydrochloride 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

1-Methyl-1,2-dihydropyridine
CID 12565502
1-Methyl-4-methylene-1,4-dihydropyridine
CID 23534281
1,3-Dimethylpyridine
CID 12437839
3-Ethyl-1-methyl-1,2-dihydropyridine
CID 12506166
5-ethyl-1-methyl-2H-pyridine
CID 12506167
1,4-Dimethyl-1,2-dihydropyridine
CID 13496664
N-butyl-4-methylpyridine
CID 20650803
4-vinyl-N-ethylpyridine
CID 22178796
n-Methyl-4-vinylpyridine
CID 22463631
(1E)-N,N,3-trimethylbuta-1,3-dien-1-amine
CID 118368990
1-methyl-4-(trifluoromethyl)-2H-pyridine
CID 121391423
(2S)-2-fluoro-1,5-dimethyl-2H-pyridine
CID 139376151

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-2H-pyridine;hydrochloride?
The IUPAC name of 1,4-dimethyl-2H-pyridine;hydrochloride (CID 66971379) is 1,4-dimethyl-2H-pyridine;hydrochloride.
What is the SMILES notation for 1,4-dimethyl-2H-pyridine;hydrochloride?
The canonical SMILES for 1,4-dimethyl-2H-pyridine;hydrochloride is CC1=CCN(C)C=C1.Cl.
What is the InChIKey of 1,4-dimethyl-2H-pyridine;hydrochloride?
The InChIKey is MIBBXJUBNAKLDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N.ClH/c1-7-3-5-8(2)6-4-7;/h3-5H,6H2,1-2H3;1H.
What are the key properties of 1,4-dimethyl-2H-pyridine;hydrochloride?
1,4-dimethyl-2H-pyridine;hydrochloride has a molecular weight of 145.63 g/mol, XLogP of 1.81, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-2H-pyridine;hydrochloride is sourced from PubChem (CID 66971379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).