(E)-1-pyridin-3-ylpent-3-ene-1,2-diol

C10H13NO2 — CID 130127875

IUPAC(E)-1-pyridin-3-ylpent-3-ene-1,2-diol
SMILESC/C=C/C(O)C(O)c1cccnc1
InChIInChI=1S/C10H13NO2/c1-2-4-9(12)10(13)8-5-3-6-11-7-8/h2-7,9-10,12-13H,1H3/b4-2+
InChIKeyBGWJLCHPSIMGBG-DUXPYHPUSA-N
MW179.22 g/mol
LogP1.05
Rot. Bonds3

About (E)-1-pyridin-3-ylpent-3-ene-1,2-diol

(E)-1-pyridin-3-ylpent-3-ene-1,2-diol (PubChem CID 130127875) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is (E)-1-pyridin-3-ylpent-3-ene-1,2-diol.

Molecular Properties

Compound Name(E)-1-pyridin-3-ylpent-3-ene-1,2-diol
PubChem CID130127875
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name(E)-1-pyridin-3-ylpent-3-ene-1,2-diol
SMILESC/C=C/C(O)C(O)c1cccnc1
InChIInChI=1S/C10H13NO2/c1-2-4-9(12)10(13)8-5-3-6-11-7-8/h2-7,9-10,12-13H,1H3/b4-2+
InChIKeyBGWJLCHPSIMGBG-DUXPYHPUSA-N
XLogP1.05
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 ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-1-pyridin-3-ylbut-2-en-1-ol
CID 45079933
2-amino-3,3-dimethyl-1-pyridin-3-ylbutan-1-ol
CID 164650292
(2R)-3-pyridin-3-ylbutan-2-ol
CID 57231816
2-amino-2-phenyl-1-pyridin-3-ylethanol
CID 62720014
(1S)-2-(methylamino)-1-pyridin-3-ylethanol
CID 10171254
ethane;methane;3-propan-2-ylpyridine;sulfane
CID 159647027
2-ethoxy-1-pyridin-3-ylbutan-1-ol
CID 116711052
1-pyridin-3-yl-2-(trifluoromethyl)but-3-en-1-ol
CID 85357126
1-hydroxy-1-pyridin-3-ylpropan-2-one
CID 12549519
(2S,3R)-3-pyridin-3-ylpent-4-en-2-ol
CID 134968632
2-cyclopropyl-2-methoxy-1-pyridin-3-ylethanol
CID 116712495
pyridin-3-yl(pyrimidin-2-yl)methanol
CID 54244340

Frequently Asked Questions

What is the IUPAC name of (E)-1-pyridin-3-ylpent-3-ene-1,2-diol?
The IUPAC name of (E)-1-pyridin-3-ylpent-3-ene-1,2-diol (CID 130127875) is (E)-1-pyridin-3-ylpent-3-ene-1,2-diol.
What is the SMILES notation for (E)-1-pyridin-3-ylpent-3-ene-1,2-diol?
The canonical SMILES for (E)-1-pyridin-3-ylpent-3-ene-1,2-diol is C/C=C/C(O)C(O)c1cccnc1.
What is the InChIKey of (E)-1-pyridin-3-ylpent-3-ene-1,2-diol?
The InChIKey is BGWJLCHPSIMGBG-DUXPYHPUSA-N. The full InChI is InChI=1S/C10H13NO2/c1-2-4-9(12)10(13)8-5-3-6-11-7-8/h2-7,9-10,12-13H,1H3/b4-2+.
What are the key properties of (E)-1-pyridin-3-ylpent-3-ene-1,2-diol?
(E)-1-pyridin-3-ylpent-3-ene-1,2-diol has a molecular weight of 179.22 g/mol, XLogP of 1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-pyridin-3-ylpent-3-ene-1,2-diol is sourced from PubChem (CID 130127875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).