5-chloro-2,3-dihydropyridine

C5H6ClN — CID 18323463

IUPAC5-chloro-2,3-dihydropyridine
SMILESClC1=CCCN=C1
InChIInChI=1S/C5H6ClN/c6-5-2-1-3-7-4-5/h2,4H,1,3H2
InChIKeyFKAAXZCBCNYWSA-UHFFFAOYSA-N
MW115.56 g/mol
LogP1.58
Rot. Bonds

About 5-chloro-2,3-dihydropyridine

5-chloro-2,3-dihydropyridine (PubChem CID 18323463) has the molecular formula C5H6ClN and a molecular weight of 115.56 g/mol. Its IUPAC name is 5-chloro-2,3-dihydropyridine.

Molecular Properties

Compound Name5-chloro-2,3-dihydropyridine
PubChem CID18323463
Molecular FormulaC5H6ClN
Molecular Weight115.56 g/mol
Exact Mass115.02
IUPAC Name5-chloro-2,3-dihydropyridine
SMILESClC1=CCCN=C1
InChIInChI=1S/C5H6ClN/c6-5-2-1-3-7-4-5/h2,4H,1,3H2
InChIKeyFKAAXZCBCNYWSA-UHFFFAOYSA-N
XLogP1.58
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.56
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,3-Dihydropyridine
CID 13347754
5-Fluoro-2,3-dihydropyridine
CID 90926903
6-Chloro-4-fluoro-2,3-dihydropyridine
CID 126592534
3-chloro-3,5-difluoro-2H-pyridine
CID 71302934
(3S)-3-chloro-3,5-difluoro-2H-pyridine
CID 97114945
(3R)-3-chloro-3,5-difluoro-2H-pyridine
CID 97114946
3-Chloro-2,3-dihydropyridine
CID 20183270
3-chloro-3-iodo-2H-pyridine
CID 21644097
3-Chloro-2,5-dihydropyridine
CID 53707752
2-Chloro-2,3-dihydropyridine
CID 54042964
6-Chloro-2,3-dihydropyridine
CID 57230767
4-chloro-3H-pyridin-1-ium
CID 57247625

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2,3-dihydropyridine?
The IUPAC name of 5-chloro-2,3-dihydropyridine (CID 18323463) is 5-chloro-2,3-dihydropyridine.
What is the SMILES notation for 5-chloro-2,3-dihydropyridine?
The canonical SMILES for 5-chloro-2,3-dihydropyridine is ClC1=CCCN=C1.
What is the InChIKey of 5-chloro-2,3-dihydropyridine?
The InChIKey is FKAAXZCBCNYWSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6ClN/c6-5-2-1-3-7-4-5/h2,4H,1,3H2.
What are the key properties of 5-chloro-2,3-dihydropyridine?
5-chloro-2,3-dihydropyridine has a molecular weight of 115.56 g/mol, XLogP of 1.58, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2,3-dihydropyridine is sourced from PubChem (CID 18323463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).