6-[(E)-hydroxyiminomethyl]pyridine-3-carboxamide

C7H7N3O2 — CID 135472748

IUPAC6-[(E)-hydroxyiminomethyl]pyridine-3-carboxamide
SMILESNC(=O)c1ccc(/C=N/O)nc1
InChIInChI=1S/C7H7N3O2/c8-7(11)5-1-2-6(4-10-12)9-3-5/h1-4,12H,(H2,8,11)/b10-4+
InChIKeyWMVXYZZKGDOMOK-ONNFQVAWSA-N
MW165.15 g/mol
LogP-0.01
Rot. Bonds2

About 6-[(E)-hydroxyiminomethyl]pyridine-3-carboxamide

6-[(E)-hydroxyiminomethyl]pyridine-3-carboxamide (PubChem CID 135472748) has the molecular formula C7H7N3O2 and a molecular weight of 165.15 g/mol. Its IUPAC name is 6-[(E)-hydroxyiminomethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(E)-hydroxyiminomethyl]pyridine-3-carboxamide
PubChem CID135472748
Molecular FormulaC7H7N3O2
Molecular Weight165.15 g/mol
Exact Mass165.05
IUPAC Name6-[(E)-hydroxyiminomethyl]pyridine-3-carboxamide
SMILESNC(=O)c1ccc(/C=N/O)nc1
InChIInChI=1S/C7H7N3O2/c8-7(11)5-1-2-6(4-10-12)9-3-5/h1-4,12H,(H2,8,11)/b10-4+
InChIKeyWMVXYZZKGDOMOK-ONNFQVAWSA-N
XLogP-0.01
TPSA88.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.15
LogP ≤ 5-0.01
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 6-[(E)-hydroxyiminomethyl]pyridine-3-carboxamide?
The IUPAC name of 6-[(E)-hydroxyiminomethyl]pyridine-3-carboxamide (CID 135472748) is 6-[(E)-hydroxyiminomethyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-[(E)-hydroxyiminomethyl]pyridine-3-carboxamide?
The canonical SMILES for 6-[(E)-hydroxyiminomethyl]pyridine-3-carboxamide is NC(=O)c1ccc(/C=N/O)nc1.
What is the InChIKey of 6-[(E)-hydroxyiminomethyl]pyridine-3-carboxamide?
The InChIKey is WMVXYZZKGDOMOK-ONNFQVAWSA-N. The full InChI is InChI=1S/C7H7N3O2/c8-7(11)5-1-2-6(4-10-12)9-3-5/h1-4,12H,(H2,8,11)/b10-4+.
What are the key properties of 6-[(E)-hydroxyiminomethyl]pyridine-3-carboxamide?
6-[(E)-hydroxyiminomethyl]pyridine-3-carboxamide has a molecular weight of 165.15 g/mol, XLogP of -0.01, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-hydroxyiminomethyl]pyridine-3-carboxamide is sourced from PubChem (CID 135472748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).