2-chloro-N'-hydroxy-6-indazol-1-ylbenzenecarboximidamide

C14H11ClN4O — CID 76945039

IUPAC2-chloro-N'-hydroxy-6-indazol-1-ylbenzenecarboximidamide
SMILESNC(=NO)c1c(Cl)cccc1-n1ncc2ccccc21
InChIInChI=1S/C14H11ClN4O/c15-10-5-3-7-12(13(10)14(16)18-20)19-11-6-2-1-4-9(11)8-17-19/h1-8,20H,(H2,16,18)
InChIKeyIDRKKKNQKMDXSF-UHFFFAOYSA-N
MW286.72 g/mol
LogP2.77
Rot. Bonds2

About 2-chloro-N'-hydroxy-6-indazol-1-ylbenzenecarboximidamide

2-chloro-N'-hydroxy-6-indazol-1-ylbenzenecarboximidamide (PubChem CID 76945039) has the molecular formula C14H11ClN4O and a molecular weight of 286.72 g/mol. Its IUPAC name is 2-chloro-N'-hydroxy-6-indazol-1-ylbenzenecarboximidamide.

Molecular Properties

Compound Name2-chloro-N'-hydroxy-6-indazol-1-ylbenzenecarboximidamide
PubChem CID76945039
Molecular FormulaC14H11ClN4O
Molecular Weight286.72 g/mol
Exact Mass286.06
IUPAC Name2-chloro-N'-hydroxy-6-indazol-1-ylbenzenecarboximidamide
SMILESNC(=NO)c1c(Cl)cccc1-n1ncc2ccccc21
InChIInChI=1S/C14H11ClN4O/c15-10-5-3-7-12(13(10)14(16)18-20)19-11-6-2-1-4-9(11)8-17-19/h1-8,20H,(H2,16,18)
InChIKeyIDRKKKNQKMDXSF-UHFFFAOYSA-N
XLogP2.77
TPSA76.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.72
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 2-chloro-N'-hydroxy-6-indazol-1-ylbenzenecarboximidamide?
The IUPAC name of 2-chloro-N'-hydroxy-6-indazol-1-ylbenzenecarboximidamide (CID 76945039) is 2-chloro-N'-hydroxy-6-indazol-1-ylbenzenecarboximidamide.
What is the SMILES notation for 2-chloro-N'-hydroxy-6-indazol-1-ylbenzenecarboximidamide?
The canonical SMILES for 2-chloro-N'-hydroxy-6-indazol-1-ylbenzenecarboximidamide is NC(=NO)c1c(Cl)cccc1-n1ncc2ccccc21.
What is the InChIKey of 2-chloro-N'-hydroxy-6-indazol-1-ylbenzenecarboximidamide?
The InChIKey is IDRKKKNQKMDXSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN4O/c15-10-5-3-7-12(13(10)14(16)18-20)19-11-6-2-1-4-9(11)8-17-19/h1-8,20H,(H2,16,18).
What are the key properties of 2-chloro-N'-hydroxy-6-indazol-1-ylbenzenecarboximidamide?
2-chloro-N'-hydroxy-6-indazol-1-ylbenzenecarboximidamide has a molecular weight of 286.72 g/mol, XLogP of 2.77, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-hydroxy-6-indazol-1-ylbenzenecarboximidamide is sourced from PubChem (CID 76945039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).