2-pyridin-3-ylpent-4-ene-2,3-diol

C10H13NO2 — CID 130127864

IUPAC2-pyridin-3-ylpent-4-ene-2,3-diol
SMILESC=CC(O)C(C)(O)c1cccnc1
InChIInChI=1S/C10H13NO2/c1-3-9(12)10(2,13)8-5-4-6-11-7-8/h3-7,9,12-13H,1H2,2H3
InChIKeyZNSKYPMSFJFPDN-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.84
Rot. Bonds3

About 2-pyridin-3-ylpent-4-ene-2,3-diol

2-pyridin-3-ylpent-4-ene-2,3-diol (PubChem CID 130127864) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 2-pyridin-3-ylpent-4-ene-2,3-diol.

Molecular Properties

Compound Name2-pyridin-3-ylpent-4-ene-2,3-diol
PubChem CID130127864
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name2-pyridin-3-ylpent-4-ene-2,3-diol
SMILESC=CC(O)C(C)(O)c1cccnc1
InChIInChI=1S/C10H13NO2/c1-3-9(12)10(2,13)8-5-4-6-11-7-8/h3-7,9,12-13H,1H2,2H3
InChIKeyZNSKYPMSFJFPDN-UHFFFAOYSA-N
XLogP0.84
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-pyridin-3-ylpent-4-ene-2,3-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-2-pyridin-3-ylbutan-2-ol
CID 58641587
3-amino-2-pyridin-3-ylbutan-2-ol
CID 82414167
2-pyridin-3-ylhex-5-en-2-ol
CID 15642446
tripyridin-3-ylmethanol
CID 177395677
2-methyl-2-pyridin-3-ylpropane-1,3-diol
CID 130130273
4-methyl-4-pyridin-3-ylpentan-2-ol
CID 64716407
1,1,1-trifluoro-2-pyridin-3-ylpropan-2-ol
CID 2748409
(2R)-1,1,1-trifluoro-2-pyridin-3-ylpropan-2-ol
CID 7053126
2,4-dimethyl-4-pyridin-3-ylpentan-2-ol
CID 145044151
(3R)-3-hydroxy-3-pyridin-3-ylbutan-2-one
CID 7200717
1-fluoro-2-pyridin-3-ylpropan-2-ol
CID 89407695
3-hydroxy-3-pyridin-3-ylbutan-2-one
CID 4912937

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-3-ylpent-4-ene-2,3-diol?
The IUPAC name of 2-pyridin-3-ylpent-4-ene-2,3-diol (CID 130127864) is 2-pyridin-3-ylpent-4-ene-2,3-diol.
What is the SMILES notation for 2-pyridin-3-ylpent-4-ene-2,3-diol?
The canonical SMILES for 2-pyridin-3-ylpent-4-ene-2,3-diol is C=CC(O)C(C)(O)c1cccnc1.
What is the InChIKey of 2-pyridin-3-ylpent-4-ene-2,3-diol?
The InChIKey is ZNSKYPMSFJFPDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-3-9(12)10(2,13)8-5-4-6-11-7-8/h3-7,9,12-13H,1H2,2H3.
What are the key properties of 2-pyridin-3-ylpent-4-ene-2,3-diol?
2-pyridin-3-ylpent-4-ene-2,3-diol has a molecular weight of 179.22 g/mol, XLogP of 0.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-ylpent-4-ene-2,3-diol is sourced from PubChem (CID 130127864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).