1-chloro-3,4-dihydro-2H-pyridine

C5H8ClN — CID 121273637

IUPAC1-chloro-3,4-dihydro-2H-pyridine
SMILESClN1C=CCCC1
InChIInChI=1S/C5H8ClN/c6-7-4-2-1-3-5-7/h2,4H,1,3,5H2
InChIKeyZNGYAZLUJGLXLM-UHFFFAOYSA-N
MW117.58 g/mol
LogP1.75
Rot. Bonds

About 1-chloro-3,4-dihydro-2H-pyridine

1-chloro-3,4-dihydro-2H-pyridine (PubChem CID 121273637) has the molecular formula C5H8ClN and a molecular weight of 117.58 g/mol. Its IUPAC name is 1-chloro-3,4-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-chloro-3,4-dihydro-2H-pyridine
PubChem CID121273637
Molecular FormulaC5H8ClN
Molecular Weight117.58 g/mol
Exact Mass117.03
IUPAC Name1-chloro-3,4-dihydro-2H-pyridine
SMILESClN1C=CCCC1
InChIInChI=1S/C5H8ClN/c6-7-4-2-1-3-5-7/h2,4H,1,3,5H2
InChIKeyZNGYAZLUJGLXLM-UHFFFAOYSA-N
XLogP1.75
TPSA3.24 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 ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-3,4-dihydro-2H-pyridine?
The IUPAC name of 1-chloro-3,4-dihydro-2H-pyridine (CID 121273637) is 1-chloro-3,4-dihydro-2H-pyridine.
What is the SMILES notation for 1-chloro-3,4-dihydro-2H-pyridine?
The canonical SMILES for 1-chloro-3,4-dihydro-2H-pyridine is ClN1C=CCCC1.
What is the InChIKey of 1-chloro-3,4-dihydro-2H-pyridine?
The InChIKey is ZNGYAZLUJGLXLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8ClN/c6-7-4-2-1-3-5-7/h2,4H,1,3,5H2.
What are the key properties of 1-chloro-3,4-dihydro-2H-pyridine?
1-chloro-3,4-dihydro-2H-pyridine has a molecular weight of 117.58 g/mol, XLogP of 1.75, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3,4-dihydro-2H-pyridine is sourced from PubChem (CID 121273637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).