2-[(E)-hydroxyiminomethyl]pyridin-3-ol

C6H6N2O2 — CID 135491057

IUPAC2-[(E)-hydroxyiminomethyl]pyridin-3-ol
SMILESO/N=C/c1ncccc1O
InChIInChI=1S/C6H6N2O2/c9-6-2-1-3-7-5(6)4-8-10/h1-4,9-10H/b8-4+
InChIKeyJUOUALUXPLOLFO-XBXARRHUSA-N
MW138.13 g/mol
LogP0.60
Rot. Bonds1

About 2-[(E)-hydroxyiminomethyl]pyridin-3-ol

2-[(E)-hydroxyiminomethyl]pyridin-3-ol (PubChem CID 135491057) has the molecular formula C6H6N2O2 and a molecular weight of 138.13 g/mol. Its IUPAC name is 2-[(E)-hydroxyiminomethyl]pyridin-3-ol.

Molecular Properties

Compound Name2-[(E)-hydroxyiminomethyl]pyridin-3-ol
PubChem CID135491057
Molecular FormulaC6H6N2O2
Molecular Weight138.13 g/mol
Exact Mass138.04
IUPAC Name2-[(E)-hydroxyiminomethyl]pyridin-3-ol
SMILESO/N=C/c1ncccc1O
InChIInChI=1S/C6H6N2O2/c9-6-2-1-3-7-5(6)4-8-10/h1-4,9-10H/b8-4+
InChIKeyJUOUALUXPLOLFO-XBXARRHUSA-N
XLogP0.60
TPSA65.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.13
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 2-[(E)-hydroxyiminomethyl]pyridin-3-ol?
The IUPAC name of 2-[(E)-hydroxyiminomethyl]pyridin-3-ol (CID 135491057) is 2-[(E)-hydroxyiminomethyl]pyridin-3-ol.
What is the SMILES notation for 2-[(E)-hydroxyiminomethyl]pyridin-3-ol?
The canonical SMILES for 2-[(E)-hydroxyiminomethyl]pyridin-3-ol is O/N=C/c1ncccc1O.
What is the InChIKey of 2-[(E)-hydroxyiminomethyl]pyridin-3-ol?
The InChIKey is JUOUALUXPLOLFO-XBXARRHUSA-N. The full InChI is InChI=1S/C6H6N2O2/c9-6-2-1-3-7-5(6)4-8-10/h1-4,9-10H/b8-4+.
What are the key properties of 2-[(E)-hydroxyiminomethyl]pyridin-3-ol?
2-[(E)-hydroxyiminomethyl]pyridin-3-ol has a molecular weight of 138.13 g/mol, XLogP of 0.60, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-hydroxyiminomethyl]pyridin-3-ol is sourced from PubChem (CID 135491057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).