4-amino-2-chloro-N'-hydroxybenzenecarboximidamide

C7H8ClN3O — CID 58182009

IUPAC4-amino-2-chloro-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N\O)c1ccc(N)cc1Cl
InChIInChI=1S/C7H8ClN3O/c8-6-3-4(9)1-2-5(6)7(10)11-12/h1-3,12H,9H2,(H2,10,11)
InChIKeyYHNYTAGFLHAHKQ-UHFFFAOYSA-N
MW185.61 g/mol
LogP1.02
Rot. Bonds1

About 4-amino-2-chloro-N'-hydroxybenzenecarboximidamide

4-amino-2-chloro-N'-hydroxybenzenecarboximidamide (PubChem CID 58182009) has the molecular formula C7H8ClN3O and a molecular weight of 185.61 g/mol. Its IUPAC name is 4-amino-2-chloro-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name4-amino-2-chloro-N'-hydroxybenzenecarboximidamide
PubChem CID58182009
Molecular FormulaC7H8ClN3O
Molecular Weight185.61 g/mol
Exact Mass185.04
IUPAC Name4-amino-2-chloro-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N\O)c1ccc(N)cc1Cl
InChIInChI=1S/C7H8ClN3O/c8-6-3-4(9)1-2-5(6)7(10)11-12/h1-3,12H,9H2,(H2,10,11)
InChIKeyYHNYTAGFLHAHKQ-UHFFFAOYSA-N
XLogP1.02
TPSA84.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.61
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'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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Related Compounds

2-chloro-N'-hydroxybenzenecarboximidamide
CID 3748706
bis(2-chloro-N'-hydroxybenzenecarboximidamide);dihydrate
CID 139071341
4-amino-2-chlorobenzoic acid;carbamic acid
CID 67980253
2-chloro-4-(difluoromethoxy)-N'-hydroxybenzenecarboximidamide
CID 102724409
2-chloro-N'-hydroxy-4-(2,4,5-trichlorophenoxy)benzenecarboximidamide
CID 76997706
methyl 3-chloro-4-[(Z)-N'-hydroxycarbamimidoyl]benzoate
CID 121432519
4-[bis(2-hydroxyethyl)amino]-2-chloro-N'-hydroxybenzenecarboximidamide
CID 76981473
2-chloro-4-(4-chloro-3-fluorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 82717050
2-chloro-4-[cyclopropylmethyl(methyl)amino]-N'-hydroxybenzenecarboximidamide
CID 55152255
2-chloro-N'-hydroxy-4-(3-methylphenyl)sulfanylbenzenecarboximidamide
CID 55152258
2-chloro-N'-hydroxy-4-pentan-3-yloxybenzenecarboximidamide
CID 102724420
2-chloro-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N'-hydroxybenzenecarboximidamide
CID 102722285

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-chloro-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 4-amino-2-chloro-N'-hydroxybenzenecarboximidamide (CID 58182009) is 4-amino-2-chloro-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 4-amino-2-chloro-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 4-amino-2-chloro-N'-hydroxybenzenecarboximidamide is N/C(=N\O)c1ccc(N)cc1Cl.
What is the InChIKey of 4-amino-2-chloro-N'-hydroxybenzenecarboximidamide?
The InChIKey is YHNYTAGFLHAHKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClN3O/c8-6-3-4(9)1-2-5(6)7(10)11-12/h1-3,12H,9H2,(H2,10,11).
What are the key properties of 4-amino-2-chloro-N'-hydroxybenzenecarboximidamide?
4-amino-2-chloro-N'-hydroxybenzenecarboximidamide has a molecular weight of 185.61 g/mol, XLogP of 1.02, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-chloro-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 58182009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).