2,4-bis(ethenyl)-5-(hydroxymethyl)pyridin-3-ol;hydrochloride

C10H12ClNO2 — CID 71400941

IUPAC2,4-bis(ethenyl)-5-(hydroxymethyl)pyridin-3-ol;hydrochloride
SMILESC=Cc1ncc(CO)c(C=C)c1O.Cl
InChIInChI=1S/C10H11NO2.ClH/c1-3-8-7(6-12)5-11-9(4-2)10(8)13;/h3-5,12-13H,1-2,6H2;1H
InChIKeyUNPDDDOXEXHNDV-UHFFFAOYSA-N
MW213.66 g/mol
LogP1.99
Rot. Bonds3

About 2,4-bis(ethenyl)-5-(hydroxymethyl)pyridin-3-ol;hydrochloride

2,4-bis(ethenyl)-5-(hydroxymethyl)pyridin-3-ol;hydrochloride (PubChem CID 71400941) has the molecular formula C10H12ClNO2 and a molecular weight of 213.66 g/mol. Its IUPAC name is 2,4-bis(ethenyl)-5-(hydroxymethyl)pyridin-3-ol;hydrochloride.

Molecular Properties

Compound Name2,4-bis(ethenyl)-5-(hydroxymethyl)pyridin-3-ol;hydrochloride
PubChem CID71400941
Molecular FormulaC10H12ClNO2
Molecular Weight213.66 g/mol
Exact Mass213.06
IUPAC Name2,4-bis(ethenyl)-5-(hydroxymethyl)pyridin-3-ol;hydrochloride
SMILESC=Cc1ncc(CO)c(C=C)c1O.Cl
InChIInChI=1S/C10H11NO2.ClH/c1-3-8-7(6-12)5-11-9(4-2)10(8)13;/h3-5,12-13H,1-2,6H2;1H
InChIKeyUNPDDDOXEXHNDV-UHFFFAOYSA-N
XLogP1.99
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.66
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Pyridoxal
CID 1050
Pyridoxine
CID 1054
Vitamin B6
CID 104817
Pyridoxamine
CID 1052
Pyridoxine Hydrochloride
CID 6019
4-Pyridoxic Acid
CID 6723
Pyridoxamine 5'-phosphate
CID 1053
Pyridoxamine, dihydrochloride
CID 10664
4'-O-Methylpyridoxine
CID 76581
Pyridoxal hydrochloride
CID 6171
Pyridoxine 5'-phosphate
CID 1055
Deoxypyridoxine
CID 6094

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(ethenyl)-5-(hydroxymethyl)pyridin-3-ol;hydrochloride?
The IUPAC name of 2,4-bis(ethenyl)-5-(hydroxymethyl)pyridin-3-ol;hydrochloride (CID 71400941) is 2,4-bis(ethenyl)-5-(hydroxymethyl)pyridin-3-ol;hydrochloride.
What is the SMILES notation for 2,4-bis(ethenyl)-5-(hydroxymethyl)pyridin-3-ol;hydrochloride?
The canonical SMILES for 2,4-bis(ethenyl)-5-(hydroxymethyl)pyridin-3-ol;hydrochloride is C=Cc1ncc(CO)c(C=C)c1O.Cl.
What is the InChIKey of 2,4-bis(ethenyl)-5-(hydroxymethyl)pyridin-3-ol;hydrochloride?
The InChIKey is UNPDDDOXEXHNDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2.ClH/c1-3-8-7(6-12)5-11-9(4-2)10(8)13;/h3-5,12-13H,1-2,6H2;1H.
What are the key properties of 2,4-bis(ethenyl)-5-(hydroxymethyl)pyridin-3-ol;hydrochloride?
2,4-bis(ethenyl)-5-(hydroxymethyl)pyridin-3-ol;hydrochloride has a molecular weight of 213.66 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(ethenyl)-5-(hydroxymethyl)pyridin-3-ol;hydrochloride is sourced from PubChem (CID 71400941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).