[4-(hydroxymethyl)-6-methyl-5-prop-2-ynoxy-3-pyridinyl]methanol

C11H13NO3 — CID 15613396

IUPAC[4-(hydroxymethyl)-6-methyl-5-prop-2-ynoxy-3-pyridinyl]methanol
SMILESC#CCOc1c(C)ncc(CO)c1CO
InChIInChI=1S/C11H13NO3/c1-3-4-15-11-8(2)12-5-9(6-13)10(11)7-14/h1,5,13-14H,4,6-7H2,2H3
InChIKeyRNQAUDMXHWXDKO-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.39
Rot. Bonds4

About [4-(hydroxymethyl)-6-methyl-5-prop-2-ynoxy-3-pyridinyl]methanol

[4-(hydroxymethyl)-6-methyl-5-prop-2-ynoxy-3-pyridinyl]methanol (PubChem CID 15613396) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is [4-(hydroxymethyl)-6-methyl-5-prop-2-ynoxy-3-pyridinyl]methanol.

Molecular Properties

Compound Name[4-(hydroxymethyl)-6-methyl-5-prop-2-ynoxy-3-pyridinyl]methanol
PubChem CID15613396
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name[4-(hydroxymethyl)-6-methyl-5-prop-2-ynoxy-3-pyridinyl]methanol
SMILESC#CCOc1c(C)ncc(CO)c1CO
InChIInChI=1S/C11H13NO3/c1-3-4-15-11-8(2)12-5-9(6-13)10(11)7-14/h1,5,13-14H,4,6-7H2,2H3
InChIKeyRNQAUDMXHWXDKO-UHFFFAOYSA-N
XLogP0.39
TPSA62.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

Pyridoxine
CID 1054
Pyridoxamine
CID 1052
Pyridoxine Hydrochloride
CID 6019
4'-O-Methylpyridoxine
CID 76581
Pyridoxine 5'-phosphate
CID 1055
Deoxypyridoxine
CID 6094
4-Desoxypyridoxine hydrochloride
CID 67417
2-Hydroxymethyl-3-methyl-4-(2,2,2-trifluoroethoxy)pyridine
CID 11229760
2,2,8-Trimethyl-4H-1,3-dioxino(4,5-c)pyridine-5-methanol
CID 70818
CID 11205997
CID 11205997
4-Methoxymethylpyridoxine hydrochloride
CID 76580
3,5-Dimethyl-2-hydroxymethyl-4-methoxy-pyridine
CID 737823

Frequently Asked Questions

What is the IUPAC name of [4-(hydroxymethyl)-6-methyl-5-prop-2-ynoxy-3-pyridinyl]methanol?
The IUPAC name of [4-(hydroxymethyl)-6-methyl-5-prop-2-ynoxy-3-pyridinyl]methanol (CID 15613396) is [4-(hydroxymethyl)-6-methyl-5-prop-2-ynoxy-3-pyridinyl]methanol.
What is the SMILES notation for [4-(hydroxymethyl)-6-methyl-5-prop-2-ynoxy-3-pyridinyl]methanol?
The canonical SMILES for [4-(hydroxymethyl)-6-methyl-5-prop-2-ynoxy-3-pyridinyl]methanol is C#CCOc1c(C)ncc(CO)c1CO.
What is the InChIKey of [4-(hydroxymethyl)-6-methyl-5-prop-2-ynoxy-3-pyridinyl]methanol?
The InChIKey is RNQAUDMXHWXDKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-3-4-15-11-8(2)12-5-9(6-13)10(11)7-14/h1,5,13-14H,4,6-7H2,2H3.
What are the key properties of [4-(hydroxymethyl)-6-methyl-5-prop-2-ynoxy-3-pyridinyl]methanol?
[4-(hydroxymethyl)-6-methyl-5-prop-2-ynoxy-3-pyridinyl]methanol has a molecular weight of 207.23 g/mol, XLogP of 0.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(hydroxymethyl)-6-methyl-5-prop-2-ynoxy-3-pyridinyl]methanol is sourced from PubChem (CID 15613396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).