[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

[5-ethoxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl]methanol
CID 15613384
4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol;ethanol
CID 68776255
5-(hydroxymethyl)-2-methyl-4-[(pent-4-yn-2-ylamino)methyl]pyridin-3-ol
CID 116686523
(5-chloro-3-methoxy-2-prop-2-ynoxyphenyl)methanol
CID 104666169
5-(hydroxymethyl)-4-[(methoxyamino)methyl]-2-methylpyridin-3-ol
CID 116686483
4-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methoxymethyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol;hydrochloride
CID 171380537
ethane;5-(hydroxymethyl)-2-methyl-4-(methylaminomethyl)pyridin-3-ol
CID 144604155
(3,5-dibromo-4-prop-2-ynoxyphenyl)methanol
CID 107738820
[6-methyl-5-sulfanyl-4-(sulfanylmethyl)-3-pyridinyl]methanol
CID 45096743
[4-formyl-5-(hydroxymethyl)-2-methyl-3-pyridinyl] acetate
CID 11769724
4-[[4-[(4-cyanoanilino)methyl]-5-(hydroxymethyl)-2-methyl-3-pyridinyl]oxymethyl]benzonitrile
CID 68644152
3-[[4-ethyl-5-(hydroxymethyl)-2-methyl-3-pyridinyl]oxymethyl]benzonitrile
CID 58636772

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).