5-(hydroxymethyl)-4-[(methoxyamino)methyl]-2-methylpyridin-3-ol

C9H14N2O3 — CID 116686483

IUPAC5-(hydroxymethyl)-4-[(methoxyamino)methyl]-2-methylpyridin-3-ol
SMILESCONCc1c(CO)cnc(C)c1O
InChIInChI=1S/C9H14N2O3/c1-6-9(13)8(4-11-14-2)7(5-12)3-10-6/h3,11-13H,4-5H2,1-2H3
InChIKeyUQVKHKCXNWJVPL-UHFFFAOYSA-N
MW198.22 g/mol
LogP0.24
Rot. Bonds4

About 5-(hydroxymethyl)-4-[(methoxyamino)methyl]-2-methylpyridin-3-ol

5-(hydroxymethyl)-4-[(methoxyamino)methyl]-2-methylpyridin-3-ol (PubChem CID 116686483) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is 5-(hydroxymethyl)-4-[(methoxyamino)methyl]-2-methylpyridin-3-ol.

Molecular Properties

Compound Name5-(hydroxymethyl)-4-[(methoxyamino)methyl]-2-methylpyridin-3-ol
PubChem CID116686483
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name5-(hydroxymethyl)-4-[(methoxyamino)methyl]-2-methylpyridin-3-ol
SMILESCONCc1c(CO)cnc(C)c1O
InChIInChI=1S/C9H14N2O3/c1-6-9(13)8(4-11-14-2)7(5-12)3-10-6/h3,11-13H,4-5H2,1-2H3
InChIKeyUQVKHKCXNWJVPL-UHFFFAOYSA-N
XLogP0.24
TPSA74.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-4-[(methoxyamino)methyl]-2-methylpyridin-3-ol?
The IUPAC name of 5-(hydroxymethyl)-4-[(methoxyamino)methyl]-2-methylpyridin-3-ol (CID 116686483) is 5-(hydroxymethyl)-4-[(methoxyamino)methyl]-2-methylpyridin-3-ol.
What is the SMILES notation for 5-(hydroxymethyl)-4-[(methoxyamino)methyl]-2-methylpyridin-3-ol?
The canonical SMILES for 5-(hydroxymethyl)-4-[(methoxyamino)methyl]-2-methylpyridin-3-ol is CONCc1c(CO)cnc(C)c1O.
What is the InChIKey of 5-(hydroxymethyl)-4-[(methoxyamino)methyl]-2-methylpyridin-3-ol?
The InChIKey is UQVKHKCXNWJVPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3/c1-6-9(13)8(4-11-14-2)7(5-12)3-10-6/h3,11-13H,4-5H2,1-2H3.
What are the key properties of 5-(hydroxymethyl)-4-[(methoxyamino)methyl]-2-methylpyridin-3-ol?
5-(hydroxymethyl)-4-[(methoxyamino)methyl]-2-methylpyridin-3-ol has a molecular weight of 198.22 g/mol, XLogP of 0.24, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-4-[(methoxyamino)methyl]-2-methylpyridin-3-ol is sourced from PubChem (CID 116686483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).