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

C9H12ClNO3 — CID 71400939

IUPAC4-ethenyl-2,5-bis(hydroxymethyl)pyridin-3-ol;hydrochloride
SMILESC=Cc1c(CO)cnc(CO)c1O.Cl
InChIInChI=1S/C9H11NO3.ClH/c1-2-7-6(4-11)3-10-8(5-12)9(7)13;/h2-3,11-13H,1,4-5H2;1H
InChIKeySDQOUCQAYNXVRT-UHFFFAOYSA-N
MW217.65 g/mol
LogP0.84
Rot. Bonds3

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

4-ethenyl-2,5-bis(hydroxymethyl)pyridin-3-ol;hydrochloride (PubChem CID 71400939) has the molecular formula C9H12ClNO3 and a molecular weight of 217.65 g/mol. Its IUPAC name is 4-ethenyl-2,5-bis(hydroxymethyl)pyridin-3-ol;hydrochloride.

Molecular Properties

Compound Name4-ethenyl-2,5-bis(hydroxymethyl)pyridin-3-ol;hydrochloride
PubChem CID71400939
Molecular FormulaC9H12ClNO3
Molecular Weight217.65 g/mol
Exact Mass217.05
IUPAC Name4-ethenyl-2,5-bis(hydroxymethyl)pyridin-3-ol;hydrochloride
SMILESC=Cc1c(CO)cnc(CO)c1O.Cl
InChIInChI=1S/C9H11NO3.ClH/c1-2-7-6(4-11)3-10-8(5-12)9(7)13;/h2-3,11-13H,1,4-5H2;1H
InChIKeySDQOUCQAYNXVRT-UHFFFAOYSA-N
XLogP0.84
TPSA73.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.65
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-2,5-bis(hydroxymethyl)pyridin-3-ol;hydrochloride?
The IUPAC name of 4-ethenyl-2,5-bis(hydroxymethyl)pyridin-3-ol;hydrochloride (CID 71400939) is 4-ethenyl-2,5-bis(hydroxymethyl)pyridin-3-ol;hydrochloride.
What is the SMILES notation for 4-ethenyl-2,5-bis(hydroxymethyl)pyridin-3-ol;hydrochloride?
The canonical SMILES for 4-ethenyl-2,5-bis(hydroxymethyl)pyridin-3-ol;hydrochloride is C=Cc1c(CO)cnc(CO)c1O.Cl.
What is the InChIKey of 4-ethenyl-2,5-bis(hydroxymethyl)pyridin-3-ol;hydrochloride?
The InChIKey is SDQOUCQAYNXVRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3.ClH/c1-2-7-6(4-11)3-10-8(5-12)9(7)13;/h2-3,11-13H,1,4-5H2;1H.
What are the key properties of 4-ethenyl-2,5-bis(hydroxymethyl)pyridin-3-ol;hydrochloride?
4-ethenyl-2,5-bis(hydroxymethyl)pyridin-3-ol;hydrochloride has a molecular weight of 217.65 g/mol, XLogP of 0.84, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-2,5-bis(hydroxymethyl)pyridin-3-ol;hydrochloride is sourced from PubChem (CID 71400939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).