2-ethenyl-5-(hydroxymethyl)-4-methylpyridin-3-ol;hydrochloride

C9H12ClNO2 — CID 71400937

IUPAC2-ethenyl-5-(hydroxymethyl)-4-methylpyridin-3-ol;hydrochloride
SMILESC=Cc1ncc(CO)c(C)c1O.Cl
InChIInChI=1S/C9H11NO2.ClH/c1-3-8-9(12)6(2)7(5-11)4-10-8;/h3-4,11-12H,1,5H2,2H3;1H
InChIKeyJQDMSKIWACTPPH-UHFFFAOYSA-N
MW201.65 g/mol
LogP1.65
Rot. Bonds2

About 2-ethenyl-5-(hydroxymethyl)-4-methylpyridin-3-ol;hydrochloride

2-ethenyl-5-(hydroxymethyl)-4-methylpyridin-3-ol;hydrochloride (PubChem CID 71400937) has the molecular formula C9H12ClNO2 and a molecular weight of 201.65 g/mol. Its IUPAC name is 2-ethenyl-5-(hydroxymethyl)-4-methylpyridin-3-ol;hydrochloride.

Molecular Properties

Compound Name2-ethenyl-5-(hydroxymethyl)-4-methylpyridin-3-ol;hydrochloride
PubChem CID71400937
Molecular FormulaC9H12ClNO2
Molecular Weight201.65 g/mol
Exact Mass201.06
IUPAC Name2-ethenyl-5-(hydroxymethyl)-4-methylpyridin-3-ol;hydrochloride
SMILESC=Cc1ncc(CO)c(C)c1O.Cl
InChIInChI=1S/C9H11NO2.ClH/c1-3-8-9(12)6(2)7(5-11)4-10-8;/h3-4,11-12H,1,5H2,2H3;1H
InChIKeyJQDMSKIWACTPPH-UHFFFAOYSA-N
XLogP1.65
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.65
LogP ≤ 51.65
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-ethenyl-5-(hydroxymethyl)-4-methylpyridin-3-ol;hydrochloride?
The IUPAC name of 2-ethenyl-5-(hydroxymethyl)-4-methylpyridin-3-ol;hydrochloride (CID 71400937) is 2-ethenyl-5-(hydroxymethyl)-4-methylpyridin-3-ol;hydrochloride.
What is the SMILES notation for 2-ethenyl-5-(hydroxymethyl)-4-methylpyridin-3-ol;hydrochloride?
The canonical SMILES for 2-ethenyl-5-(hydroxymethyl)-4-methylpyridin-3-ol;hydrochloride is C=Cc1ncc(CO)c(C)c1O.Cl.
What is the InChIKey of 2-ethenyl-5-(hydroxymethyl)-4-methylpyridin-3-ol;hydrochloride?
The InChIKey is JQDMSKIWACTPPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2.ClH/c1-3-8-9(12)6(2)7(5-11)4-10-8;/h3-4,11-12H,1,5H2,2H3;1H.
What are the key properties of 2-ethenyl-5-(hydroxymethyl)-4-methylpyridin-3-ol;hydrochloride?
2-ethenyl-5-(hydroxymethyl)-4-methylpyridin-3-ol;hydrochloride has a molecular weight of 201.65 g/mol, XLogP of 1.65, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-5-(hydroxymethyl)-4-methylpyridin-3-ol;hydrochloride is sourced from PubChem (CID 71400937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).