2,3-dihydropyridine;hydrochloride

C5H8ClN — CID 67932399

IUPAC2,3-dihydropyridine;hydrochloride
SMILESC1=CCCN=C1.Cl
InChIInChI=1S/C5H7N.ClH/c1-2-4-6-5-3-1;/h1-2,4H,3,5H2;1H
InChIKeyTWTISGDBOMXRKZ-UHFFFAOYSA-N
MW117.58 g/mol
LogP1.44
Rot. Bonds

About 2,3-dihydropyridine;hydrochloride

2,3-dihydropyridine;hydrochloride (PubChem CID 67932399) has the molecular formula C5H8ClN and a molecular weight of 117.58 g/mol. Its IUPAC name is 2,3-dihydropyridine;hydrochloride.

Molecular Properties

Compound Name2,3-dihydropyridine;hydrochloride
PubChem CID67932399
Molecular FormulaC5H8ClN
Molecular Weight117.58 g/mol
Exact Mass117.03
IUPAC Name2,3-dihydropyridine;hydrochloride
SMILESC1=CCCN=C1.Cl
InChIInChI=1S/C5H7N.ClH/c1-2-4-6-5-3-1;/h1-2,4H,3,5H2;1H
InChIKeyTWTISGDBOMXRKZ-UHFFFAOYSA-N
XLogP1.44
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.58
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydropyridine;hydrochloride?
The IUPAC name of 2,3-dihydropyridine;hydrochloride (CID 67932399) is 2,3-dihydropyridine;hydrochloride.
What is the SMILES notation for 2,3-dihydropyridine;hydrochloride?
The canonical SMILES for 2,3-dihydropyridine;hydrochloride is C1=CCCN=C1.Cl.
What is the InChIKey of 2,3-dihydropyridine;hydrochloride?
The InChIKey is TWTISGDBOMXRKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N.ClH/c1-2-4-6-5-3-1;/h1-2,4H,3,5H2;1H.
What are the key properties of 2,3-dihydropyridine;hydrochloride?
2,3-dihydropyridine;hydrochloride has a molecular weight of 117.58 g/mol, XLogP of 1.44, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydropyridine;hydrochloride is sourced from PubChem (CID 67932399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).