3-chloro-N'-hydroxybenzenecarboximidamide

C7H7ClN2O — CID 2794817

IUPAC3-chloro-N'-hydroxybenzenecarboximidamide
SMILESNC(=NO)c1cccc(Cl)c1
InChIInChI=1S/C7H7ClN2O/c8-6-3-1-2-5(4-6)7(9)10-11/h1-4,11H,(H2,9,10)
InChIKeyWYAJMVHDMUWQQA-UHFFFAOYSA-N
MW170.60 g/mol
LogP1.43
Rot. Bonds1

About 3-chloro-N'-hydroxybenzenecarboximidamide

3-chloro-N'-hydroxybenzenecarboximidamide (PubChem CID 2794817) has the molecular formula C7H7ClN2O and a molecular weight of 170.60 g/mol. Its IUPAC name is 3-chloro-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name3-chloro-N'-hydroxybenzenecarboximidamide
PubChem CID2794817
Molecular FormulaC7H7ClN2O
Molecular Weight170.60 g/mol
Exact Mass170.02
IUPAC Name3-chloro-N'-hydroxybenzenecarboximidamide
SMILESNC(=NO)c1cccc(Cl)c1
InChIInChI=1S/C7H7ClN2O/c8-6-3-1-2-5(4-6)7(9)10-11/h1-4,11H,(H2,9,10)
InChIKeyWYAJMVHDMUWQQA-UHFFFAOYSA-N
XLogP1.43
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.60
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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 3-chloro-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 3-chloro-N'-hydroxybenzenecarboximidamide (CID 2794817) is 3-chloro-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 3-chloro-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 3-chloro-N'-hydroxybenzenecarboximidamide is NC(=NO)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N'-hydroxybenzenecarboximidamide?
The InChIKey is WYAJMVHDMUWQQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN2O/c8-6-3-1-2-5(4-6)7(9)10-11/h1-4,11H,(H2,9,10).
What are the key properties of 3-chloro-N'-hydroxybenzenecarboximidamide?
3-chloro-N'-hydroxybenzenecarboximidamide has a molecular weight of 170.60 g/mol, XLogP of 1.43, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 2794817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).