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

C8H11NO3 — CID 1054

💊View drug profile → pyridoxine
IUPAC4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol
SMILESCc1ncc(CO)c(CO)c1O
InChIInChI=1S/C8H11NO3/c1-5-8(12)7(4-11)6(3-10)2-9-5/h2,10-12H,3-4H2,1H3
InChIKeyLXNHXLLTXMVWPM-UHFFFAOYSA-N
MW169.18 g/mol
LogP0.08
Rot. Bonds2

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

4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol (PubChem CID 1054) has the molecular formula C8H11NO3 and a molecular weight of 169.18 g/mol. Its IUPAC name is 4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol.

Molecular Properties

Compound Name4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol
PubChem CID1054
Molecular FormulaC8H11NO3
Molecular Weight169.18 g/mol
Exact Mass169.07
IUPAC Name4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol
SMILESCc1ncc(CO)c(CO)c1O
InChIInChI=1S/C8H11NO3/c1-5-8(12)7(4-11)6(3-10)2-9-5/h2,10-12H,3-4H2,1H3
InChIKeyLXNHXLLTXMVWPM-UHFFFAOYSA-N
XLogP0.08
TPSA73.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

Pyridoxal
CID 1050
Vitamin B6
CID 104817
Pyridoxamine
CID 1052
Pyridoxine Hydrochloride
CID 6019
Pyridoxamine 5'-phosphate
CID 1053
Pyridoxamine, dihydrochloride
CID 10664
4-Pyridoxic Acid
CID 6723
Pyritinol
CID 14190
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 4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol?
The IUPAC name of 4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol (CID 1054) is 4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol.
What is the SMILES notation for 4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol?
The canonical SMILES for 4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol is Cc1ncc(CO)c(CO)c1O.
What is the InChIKey of 4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol?
The InChIKey is LXNHXLLTXMVWPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3/c1-5-8(12)7(4-11)6(3-10)2-9-5/h2,10-12H,3-4H2,1H3.
What are the key properties of 4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol?
4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol has a molecular weight of 169.18 g/mol, XLogP of 0.08, 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 is sourced from PubChem (CID 1054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).