5,6-dichloro-N'-hydroxyisoquinoline-1-carboximidamide

C10H7Cl2N3O — CID 137085334

IUPAC5,6-dichloro-N'-hydroxyisoquinoline-1-carboximidamide
SMILESNC(=NO)c1nccc2c(Cl)c(Cl)ccc12
InChIInChI=1S/C10H7Cl2N3O/c11-7-2-1-6-5(8(7)12)3-4-14-9(6)10(13)15-16/h1-4,16H,(H2,13,15)
InChIKeyWOUMMNQUJQXPDQ-UHFFFAOYSA-N
MW256.09 g/mol
LogP2.64
Rot. Bonds1

About 5,6-dichloro-N'-hydroxyisoquinoline-1-carboximidamide

5,6-dichloro-N'-hydroxyisoquinoline-1-carboximidamide (PubChem CID 137085334) has the molecular formula C10H7Cl2N3O and a molecular weight of 256.09 g/mol. Its IUPAC name is 5,6-dichloro-N'-hydroxyisoquinoline-1-carboximidamide.

Molecular Properties

Compound Name5,6-dichloro-N'-hydroxyisoquinoline-1-carboximidamide
PubChem CID137085334
Molecular FormulaC10H7Cl2N3O
Molecular Weight256.09 g/mol
Exact Mass255.00
IUPAC Name5,6-dichloro-N'-hydroxyisoquinoline-1-carboximidamide
SMILESNC(=NO)c1nccc2c(Cl)c(Cl)ccc12
InChIInChI=1S/C10H7Cl2N3O/c11-7-2-1-6-5(8(7)12)3-4-14-9(6)10(13)15-16/h1-4,16H,(H2,13,15)
InChIKeyWOUMMNQUJQXPDQ-UHFFFAOYSA-N
XLogP2.64
TPSA71.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.09
LogP ≤ 52.64
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-chloro-N'-hydroxyisoquinoline-1-carboximidamide
CID 137085301
2-N',3-N'-dihydroxypyrazine-2,3-dicarboximidamide
CID 135525948
3-chloro-N'-hydroxypyrazine-2-carboximidamide
CID 135742050
N'-hydroxy-5,7-dimethylisoquinoline-1-carboximidamide
CID 137085329
N'-hydroxy-7-propan-2-ylisoquinoline-1-carboximidamide
CID 178186310
3-chloro-2-[(3-chloro-2-pyridinyl)sulfanyl]-N'-hydroxypyridine-4-carboximidamide
CID 136739877
3-(2-chloro-6-nitrophenoxy)-N'-hydroxypyridine-2-carboximidamide
CID 136865799
3-chloro-N'-hydroxy-2-(1H-imidazol-2-ylsulfanyl)pyridine-4-carboximidamide
CID 136778508
N'-hydroxy-5,6,7,8-tetrahydroisoquinoline-1-carboximidamide
CID 165442259
3-chloro-N'-hydroxy-2-[(2-methylpropan-2-yl)oxy]pyridine-4-carboximidamide
CID 136739684
3-chloro-N'-hydroxy-2-(3-hydroxypropoxy)pyridine-4-carboximidamide
CID 136739694
3-chloro-2-[(2-chlorophenyl)methoxy]-N'-hydroxypyridine-4-carboximidamide
CID 136739641

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-N'-hydroxyisoquinoline-1-carboximidamide?
The IUPAC name of 5,6-dichloro-N'-hydroxyisoquinoline-1-carboximidamide (CID 137085334) is 5,6-dichloro-N'-hydroxyisoquinoline-1-carboximidamide.
What is the SMILES notation for 5,6-dichloro-N'-hydroxyisoquinoline-1-carboximidamide?
The canonical SMILES for 5,6-dichloro-N'-hydroxyisoquinoline-1-carboximidamide is NC(=NO)c1nccc2c(Cl)c(Cl)ccc12.
What is the InChIKey of 5,6-dichloro-N'-hydroxyisoquinoline-1-carboximidamide?
The InChIKey is WOUMMNQUJQXPDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2N3O/c11-7-2-1-6-5(8(7)12)3-4-14-9(6)10(13)15-16/h1-4,16H,(H2,13,15).
What are the key properties of 5,6-dichloro-N'-hydroxyisoquinoline-1-carboximidamide?
5,6-dichloro-N'-hydroxyisoquinoline-1-carboximidamide has a molecular weight of 256.09 g/mol, XLogP of 2.64, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-N'-hydroxyisoquinoline-1-carboximidamide is sourced from PubChem (CID 137085334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).