5-chloro-N'-hydroxyisoquinoline-1-carboximidamide

C10H8ClN3O — CID 137085301

IUPAC5-chloro-N'-hydroxyisoquinoline-1-carboximidamide
SMILESNC(=NO)c1nccc2c(Cl)cccc12
InChIInChI=1S/C10H8ClN3O/c11-8-3-1-2-7-6(8)4-5-13-9(7)10(12)14-15/h1-5,15H,(H2,12,14)
InChIKeyIWAFDZWWLMCBKP-UHFFFAOYSA-N
MW221.65 g/mol
LogP1.98
Rot. Bonds1

About 5-chloro-N'-hydroxyisoquinoline-1-carboximidamide

5-chloro-N'-hydroxyisoquinoline-1-carboximidamide (PubChem CID 137085301) has the molecular formula C10H8ClN3O and a molecular weight of 221.65 g/mol. Its IUPAC name is 5-chloro-N'-hydroxyisoquinoline-1-carboximidamide.

Molecular Properties

Compound Name5-chloro-N'-hydroxyisoquinoline-1-carboximidamide
PubChem CID137085301
Molecular FormulaC10H8ClN3O
Molecular Weight221.65 g/mol
Exact Mass221.04
IUPAC Name5-chloro-N'-hydroxyisoquinoline-1-carboximidamide
SMILESNC(=NO)c1nccc2c(Cl)cccc12
InChIInChI=1S/C10H8ClN3O/c11-8-3-1-2-7-6(8)4-5-13-9(7)10(12)14-15/h1-5,15H,(H2,12,14)
InChIKeyIWAFDZWWLMCBKP-UHFFFAOYSA-N
XLogP1.98
TPSA71.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.65
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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Related Compounds

5,6-dichloro-N'-hydroxyisoquinoline-1-carboximidamide
CID 137085334
2-N',3-N'-dihydroxypyrazine-2,3-dicarboximidamide
CID 135525948
3-(2-chloro-6-nitrophenoxy)-N'-hydroxypyridine-2-carboximidamide
CID 136865799
3-chloro-N'-hydroxypyrazine-2-carboximidamide
CID 135742050
2-[(5-chloroisoquinoline-1-carbonyl)amino]acetic acid
CID 82571599
N'-hydroxy-5,7-dimethylisoquinoline-1-carboximidamide
CID 137085329
3-chloro-2-[(3-chloro-2-pyridinyl)sulfanyl]-N'-hydroxypyridine-4-carboximidamide
CID 136739877
2-chloro-N'-hydroxybenzenecarboximidamide
CID 3748706
bis(2-chloro-N'-hydroxybenzenecarboximidamide);dihydrate
CID 139071341
N'-hydroxy-7-propan-2-ylisoquinoline-1-carboximidamide
CID 178186310
3-chloro-2-[(2-chlorophenyl)methoxy]-N'-hydroxypyridine-4-carboximidamide
CID 136739641
2-(2,3-dichlorophenoxy)-N'-hydroxypyrimidine-4-carboximidamide
CID 136907185

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N'-hydroxyisoquinoline-1-carboximidamide?
The IUPAC name of 5-chloro-N'-hydroxyisoquinoline-1-carboximidamide (CID 137085301) is 5-chloro-N'-hydroxyisoquinoline-1-carboximidamide.
What is the SMILES notation for 5-chloro-N'-hydroxyisoquinoline-1-carboximidamide?
The canonical SMILES for 5-chloro-N'-hydroxyisoquinoline-1-carboximidamide is NC(=NO)c1nccc2c(Cl)cccc12.
What is the InChIKey of 5-chloro-N'-hydroxyisoquinoline-1-carboximidamide?
The InChIKey is IWAFDZWWLMCBKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN3O/c11-8-3-1-2-7-6(8)4-5-13-9(7)10(12)14-15/h1-5,15H,(H2,12,14).
What are the key properties of 5-chloro-N'-hydroxyisoquinoline-1-carboximidamide?
5-chloro-N'-hydroxyisoquinoline-1-carboximidamide has a molecular weight of 221.65 g/mol, XLogP of 1.98, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N'-hydroxyisoquinoline-1-carboximidamide is sourced from PubChem (CID 137085301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).