3-chloro-1,4-dihydropyridin-4-ol

C5H6ClNO — CID 146499071

IUPAC3-chloro-1,4-dihydropyridin-4-ol
SMILESOC1C=CNC=C1Cl
InChIInChI=1S/C5H6ClNO/c6-4-3-7-2-1-5(4)8/h1-3,5,7-8H
InChIKeyLDZODLBHAFKRDI-UHFFFAOYSA-N
MW131.56 g/mol
LogP0.54
Rot. Bonds

About 3-chloro-1,4-dihydropyridin-4-ol

3-chloro-1,4-dihydropyridin-4-ol (PubChem CID 146499071) has the molecular formula C5H6ClNO and a molecular weight of 131.56 g/mol. Its IUPAC name is 3-chloro-1,4-dihydropyridin-4-ol.

Molecular Properties

Compound Name3-chloro-1,4-dihydropyridin-4-ol
PubChem CID146499071
Molecular FormulaC5H6ClNO
Molecular Weight131.56 g/mol
Exact Mass131.01
IUPAC Name3-chloro-1,4-dihydropyridin-4-ol
SMILESOC1C=CNC=C1Cl
InChIInChI=1S/C5H6ClNO/c6-4-3-7-2-1-5(4)8/h1-3,5,7-8H
InChIKeyLDZODLBHAFKRDI-UHFFFAOYSA-N
XLogP0.54
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.56
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-1,4-dihydropyridin-4-ol?
The IUPAC name of 3-chloro-1,4-dihydropyridin-4-ol (CID 146499071) is 3-chloro-1,4-dihydropyridin-4-ol.
What is the SMILES notation for 3-chloro-1,4-dihydropyridin-4-ol?
The canonical SMILES for 3-chloro-1,4-dihydropyridin-4-ol is OC1C=CNC=C1Cl.
What is the InChIKey of 3-chloro-1,4-dihydropyridin-4-ol?
The InChIKey is LDZODLBHAFKRDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6ClNO/c6-4-3-7-2-1-5(4)8/h1-3,5,7-8H.
What are the key properties of 3-chloro-1,4-dihydropyridin-4-ol?
3-chloro-1,4-dihydropyridin-4-ol has a molecular weight of 131.56 g/mol, XLogP of 0.54, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1,4-dihydropyridin-4-ol is sourced from PubChem (CID 146499071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).