[4-(hydroxymethyl)-5-methoxy-6-methyl-3-pyridinyl]methanol

C9H13NO3 — CID 14419841

IUPAC[4-(hydroxymethyl)-5-methoxy-6-methyl-3-pyridinyl]methanol
SMILESCOc1c(C)ncc(CO)c1CO
InChIInChI=1S/C9H13NO3/c1-6-9(13-2)8(5-12)7(4-11)3-10-6/h3,11-12H,4-5H2,1-2H3
InChIKeyKHUNHYCUXIEXSO-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.38
Rot. Bonds3

About [4-(hydroxymethyl)-5-methoxy-6-methyl-3-pyridinyl]methanol

[4-(hydroxymethyl)-5-methoxy-6-methyl-3-pyridinyl]methanol (PubChem CID 14419841) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is [4-(hydroxymethyl)-5-methoxy-6-methyl-3-pyridinyl]methanol.

Molecular Properties

Compound Name[4-(hydroxymethyl)-5-methoxy-6-methyl-3-pyridinyl]methanol
PubChem CID14419841
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Name[4-(hydroxymethyl)-5-methoxy-6-methyl-3-pyridinyl]methanol
SMILESCOc1c(C)ncc(CO)c1CO
InChIInChI=1S/C9H13NO3/c1-6-9(13-2)8(5-12)7(4-11)3-10-6/h3,11-12H,4-5H2,1-2H3
InChIKeyKHUNHYCUXIEXSO-UHFFFAOYSA-N
XLogP0.38
TPSA62.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(hydroxymethyl)-5-methoxy-6-methyl-3-pyridinyl]methanol?
The IUPAC name of [4-(hydroxymethyl)-5-methoxy-6-methyl-3-pyridinyl]methanol (CID 14419841) is [4-(hydroxymethyl)-5-methoxy-6-methyl-3-pyridinyl]methanol.
What is the SMILES notation for [4-(hydroxymethyl)-5-methoxy-6-methyl-3-pyridinyl]methanol?
The canonical SMILES for [4-(hydroxymethyl)-5-methoxy-6-methyl-3-pyridinyl]methanol is COc1c(C)ncc(CO)c1CO.
What is the InChIKey of [4-(hydroxymethyl)-5-methoxy-6-methyl-3-pyridinyl]methanol?
The InChIKey is KHUNHYCUXIEXSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3/c1-6-9(13-2)8(5-12)7(4-11)3-10-6/h3,11-12H,4-5H2,1-2H3.
What are the key properties of [4-(hydroxymethyl)-5-methoxy-6-methyl-3-pyridinyl]methanol?
[4-(hydroxymethyl)-5-methoxy-6-methyl-3-pyridinyl]methanol has a molecular weight of 183.21 g/mol, XLogP of 0.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(hydroxymethyl)-5-methoxy-6-methyl-3-pyridinyl]methanol is sourced from PubChem (CID 14419841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).