2,3-dichloro-1,4-dihydropyridin-4-ol

C5H5Cl2NO — CID 58535096

IUPAC2,3-dichloro-1,4-dihydropyridin-4-ol
SMILESOC1C=CNC(Cl)=C1Cl
InChIInChI=1S/C5H5Cl2NO/c6-4-3(9)1-2-8-5(4)7/h1-3,8-9H
InChIKeySFMTWJANAAYUKA-UHFFFAOYSA-N
MW166.01 g/mol
LogP1.11
Rot. Bonds

About 2,3-dichloro-1,4-dihydropyridin-4-ol

2,3-dichloro-1,4-dihydropyridin-4-ol (PubChem CID 58535096) has the molecular formula C5H5Cl2NO and a molecular weight of 166.01 g/mol. Its IUPAC name is 2,3-dichloro-1,4-dihydropyridin-4-ol.

Molecular Properties

Compound Name2,3-dichloro-1,4-dihydropyridin-4-ol
PubChem CID58535096
Molecular FormulaC5H5Cl2NO
Molecular Weight166.01 g/mol
Exact Mass164.97
IUPAC Name2,3-dichloro-1,4-dihydropyridin-4-ol
SMILESOC1C=CNC(Cl)=C1Cl
InChIInChI=1S/C5H5Cl2NO/c6-4-3(9)1-2-8-5(4)7/h1-3,8-9H
InChIKeySFMTWJANAAYUKA-UHFFFAOYSA-N
XLogP1.11
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.01
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-1,4-dihydropyridin-4-ol?
The IUPAC name of 2,3-dichloro-1,4-dihydropyridin-4-ol (CID 58535096) is 2,3-dichloro-1,4-dihydropyridin-4-ol.
What is the SMILES notation for 2,3-dichloro-1,4-dihydropyridin-4-ol?
The canonical SMILES for 2,3-dichloro-1,4-dihydropyridin-4-ol is OC1C=CNC(Cl)=C1Cl.
What is the InChIKey of 2,3-dichloro-1,4-dihydropyridin-4-ol?
The InChIKey is SFMTWJANAAYUKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5Cl2NO/c6-4-3(9)1-2-8-5(4)7/h1-3,8-9H.
What are the key properties of 2,3-dichloro-1,4-dihydropyridin-4-ol?
2,3-dichloro-1,4-dihydropyridin-4-ol has a molecular weight of 166.01 g/mol, XLogP of 1.11, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-1,4-dihydropyridin-4-ol is sourced from PubChem (CID 58535096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).