(2E)-N-(3-chloro-2H-indazol-5-yl)-2-hydroxyiminoacetamide

C9H7ClN4O2 — CID 10900706

IUPAC(2E)-N-(3-chloro-2H-indazol-5-yl)-2-hydroxyiminoacetamide
SMILESO=C(/C=N/O)Nc1ccc2n[nH]c(Cl)c2c1
InChIInChI=1S/C9H7ClN4O2/c10-9-6-3-5(12-8(15)4-11-16)1-2-7(6)13-14-9/h1-4,16H,(H,12,15)(H,13,14)/b11-4+
InChIKeyPVEHZNCGFBAJGO-NYYWCZLTSA-N
MW238.63 g/mol
LogP1.61
Rot. Bonds2

About (2E)-N-(3-chloro-2H-indazol-5-yl)-2-hydroxyiminoacetamide

(2E)-N-(3-chloro-2H-indazol-5-yl)-2-hydroxyiminoacetamide (PubChem CID 10900706) has the molecular formula C9H7ClN4O2 and a molecular weight of 238.63 g/mol. Its IUPAC name is (2E)-N-(3-chloro-2H-indazol-5-yl)-2-hydroxyiminoacetamide.

Molecular Properties

Compound Name(2E)-N-(3-chloro-2H-indazol-5-yl)-2-hydroxyiminoacetamide
PubChem CID10900706
Molecular FormulaC9H7ClN4O2
Molecular Weight238.63 g/mol
Exact Mass238.03
IUPAC Name(2E)-N-(3-chloro-2H-indazol-5-yl)-2-hydroxyiminoacetamide
SMILESO=C(/C=N/O)Nc1ccc2n[nH]c(Cl)c2c1
InChIInChI=1S/C9H7ClN4O2/c10-9-6-3-5(12-8(15)4-11-16)1-2-7(6)13-14-9/h1-4,16H,(H,12,15)(H,13,14)/b11-4+
InChIKeyPVEHZNCGFBAJGO-NYYWCZLTSA-N
XLogP1.61
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.63
LogP ≤ 51.61
H-Bond Donors ≤ 53
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 (2E)-N-(3-chloro-2H-indazol-5-yl)-2-hydroxyiminoacetamide?
The IUPAC name of (2E)-N-(3-chloro-2H-indazol-5-yl)-2-hydroxyiminoacetamide (CID 10900706) is (2E)-N-(3-chloro-2H-indazol-5-yl)-2-hydroxyiminoacetamide.
What is the SMILES notation for (2E)-N-(3-chloro-2H-indazol-5-yl)-2-hydroxyiminoacetamide?
The canonical SMILES for (2E)-N-(3-chloro-2H-indazol-5-yl)-2-hydroxyiminoacetamide is O=C(/C=N/O)Nc1ccc2n[nH]c(Cl)c2c1.
What is the InChIKey of (2E)-N-(3-chloro-2H-indazol-5-yl)-2-hydroxyiminoacetamide?
The InChIKey is PVEHZNCGFBAJGO-NYYWCZLTSA-N. The full InChI is InChI=1S/C9H7ClN4O2/c10-9-6-3-5(12-8(15)4-11-16)1-2-7(6)13-14-9/h1-4,16H,(H,12,15)(H,13,14)/b11-4+.
What are the key properties of (2E)-N-(3-chloro-2H-indazol-5-yl)-2-hydroxyiminoacetamide?
(2E)-N-(3-chloro-2H-indazol-5-yl)-2-hydroxyiminoacetamide has a molecular weight of 238.63 g/mol, XLogP of 1.61, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-(3-chloro-2H-indazol-5-yl)-2-hydroxyiminoacetamide is sourced from PubChem (CID 10900706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).