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

C8H12ClNO3 — CID 6019

IUPAC4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol;hydrochloride
SMILESCc1ncc(CO)c(CO)c1O.Cl
InChIInChI=1S/C8H11NO3.ClH/c1-5-8(12)7(4-11)6(3-10)2-9-5;/h2,10-12H,3-4H2,1H3;1H
InChIKeyZUFQODAHGAHPFQ-UHFFFAOYSA-N
MW205.64 g/mol
LogP0.50
Rot. Bonds2

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

4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol;hydrochloride (PubChem CID 6019) has the molecular formula C8H12ClNO3 and a molecular weight of 205.64 g/mol. Its IUPAC name is 4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol;hydrochloride.

Molecular Properties

Compound Name4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol;hydrochloride
PubChem CID6019
Molecular FormulaC8H12ClNO3
Molecular Weight205.64 g/mol
Exact Mass205.05
IUPAC Name4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol;hydrochloride
SMILESCc1ncc(CO)c(CO)c1O.Cl
InChIInChI=1S/C8H11NO3.ClH/c1-5-8(12)7(4-11)6(3-10)2-9-5;/h2,10-12H,3-4H2,1H3;1H
InChIKeyZUFQODAHGAHPFQ-UHFFFAOYSA-N
XLogP0.50
TPSA73.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.64
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol;hydrochloride?
The IUPAC name of 4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol;hydrochloride (CID 6019) is 4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol;hydrochloride.
What is the SMILES notation for 4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol;hydrochloride?
The canonical SMILES for 4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol;hydrochloride is Cc1ncc(CO)c(CO)c1O.Cl.
What is the InChIKey of 4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol;hydrochloride?
The InChIKey is ZUFQODAHGAHPFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3.ClH/c1-5-8(12)7(4-11)6(3-10)2-9-5;/h2,10-12H,3-4H2,1H3;1H.
What are the key properties of 4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol;hydrochloride?
4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol;hydrochloride has a molecular weight of 205.64 g/mol, XLogP of 0.50, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol;hydrochloride is sourced from PubChem (CID 6019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).