4-[(E)-hydroxyiminomethyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol

C8H10N2O3 — CID 135473061

IUPAC4-[(E)-hydroxyiminomethyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol
SMILESCc1ncc(CO)c(/C=N/O)c1O
InChIInChI=1S/C8H10N2O3/c1-5-8(12)7(3-10-13)6(4-11)2-9-5/h2-3,11-13H,4H2,1H3/b10-3+
InChIKeyQXKIIRAOFHLZMD-XCVCLJGOSA-N
MW182.18 g/mol
LogP0.40
Rot. Bonds2

About 4-[(E)-hydroxyiminomethyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol

4-[(E)-hydroxyiminomethyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol (PubChem CID 135473061) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is 4-[(E)-hydroxyiminomethyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol.

Molecular Properties

Compound Name4-[(E)-hydroxyiminomethyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol
PubChem CID135473061
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name4-[(E)-hydroxyiminomethyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol
SMILESCc1ncc(CO)c(/C=N/O)c1O
InChIInChI=1S/C8H10N2O3/c1-5-8(12)7(3-10-13)6(4-11)2-9-5/h2-3,11-13H,4H2,1H3/b10-3+
InChIKeyQXKIIRAOFHLZMD-XCVCLJGOSA-N
XLogP0.40
TPSA85.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-hydroxyiminomethyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol?
The IUPAC name of 4-[(E)-hydroxyiminomethyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol (CID 135473061) is 4-[(E)-hydroxyiminomethyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol.
What is the SMILES notation for 4-[(E)-hydroxyiminomethyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol?
The canonical SMILES for 4-[(E)-hydroxyiminomethyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol is Cc1ncc(CO)c(/C=N/O)c1O.
What is the InChIKey of 4-[(E)-hydroxyiminomethyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol?
The InChIKey is QXKIIRAOFHLZMD-XCVCLJGOSA-N. The full InChI is InChI=1S/C8H10N2O3/c1-5-8(12)7(3-10-13)6(4-11)2-9-5/h2-3,11-13H,4H2,1H3/b10-3+.
What are the key properties of 4-[(E)-hydroxyiminomethyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol?
4-[(E)-hydroxyiminomethyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol has a molecular weight of 182.18 g/mol, XLogP of 0.40, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-hydroxyiminomethyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol is sourced from PubChem (CID 135473061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).