5,6-dichloro-N-hydroxyisoquinoline-8-carboxamide

C10H6Cl2N2O2 — CID 82574325

IUPAC5,6-dichloro-N-hydroxyisoquinoline-8-carboxamide
SMILESO=C(NO)c1cc(Cl)c(Cl)c2ccncc12
InChIInChI=1S/C10H6Cl2N2O2/c11-8-3-6(10(15)14-16)7-4-13-2-1-5(7)9(8)12/h1-4,16H,(H,14,15)
InChIKeyXANYDOZIPGQYQT-UHFFFAOYSA-N
MW257.08 g/mol
LogP2.66
Rot. Bonds1

About 5,6-dichloro-N-hydroxyisoquinoline-8-carboxamide

5,6-dichloro-N-hydroxyisoquinoline-8-carboxamide (PubChem CID 82574325) has the molecular formula C10H6Cl2N2O2 and a molecular weight of 257.08 g/mol. Its IUPAC name is 5,6-dichloro-N-hydroxyisoquinoline-8-carboxamide.

Molecular Properties

Compound Name5,6-dichloro-N-hydroxyisoquinoline-8-carboxamide
PubChem CID82574325
Molecular FormulaC10H6Cl2N2O2
Molecular Weight257.08 g/mol
Exact Mass255.98
IUPAC Name5,6-dichloro-N-hydroxyisoquinoline-8-carboxamide
SMILESO=C(NO)c1cc(Cl)c(Cl)c2ccncc12
InChIInChI=1S/C10H6Cl2N2O2/c11-8-3-6(10(15)14-16)7-4-13-2-1-5(7)9(8)12/h1-4,16H,(H,14,15)
InChIKeyXANYDOZIPGQYQT-UHFFFAOYSA-N
XLogP2.66
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.08
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(3,4-dichlorophenyl)-pyridin-4-ylmethyl]isoquinoline-6-carboxamide
CID 56682540
2-(3,4-Dichlorophenyl)isonicotinamide
CID 56719253
2-(5-Chloroisoquinolin-8-yl)benzaldehyde
CID 134863745
5-fluoro-N-hydroxyisoquinoline-8-carboxamide
CID 82574328
8-fluoro-N-hydroxyisoquinoline-5-carboxamide
CID 82574336
4-Chloro-2-(pyridine-4-carbonyl)benzamide
CID 22327295
4-Chloro-2-(2,3-dichlorophenyl)-3-pyridin-2-ylbenzamide
CID 66641386
4-Chloro-3-(2,3-dichlorophenyl)-2-pyridin-2-ylbenzamide
CID 66641388
3-(3-Chlorophenyl)-2-pyridin-4-ylbenzamide
CID 67701336
N-(diaminomethylidene)-1-(2,3-dichlorophenyl)isoquinoline-7-carboxamide
CID 67961490
5-Chloroisoquinolin-4-carboxylic amide
CID 68281893
5-Chloro-2-oxidoisoquinolin-2-ium-4-carboxamide
CID 68282046

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-N-hydroxyisoquinoline-8-carboxamide?
The IUPAC name of 5,6-dichloro-N-hydroxyisoquinoline-8-carboxamide (CID 82574325) is 5,6-dichloro-N-hydroxyisoquinoline-8-carboxamide.
What is the SMILES notation for 5,6-dichloro-N-hydroxyisoquinoline-8-carboxamide?
The canonical SMILES for 5,6-dichloro-N-hydroxyisoquinoline-8-carboxamide is O=C(NO)c1cc(Cl)c(Cl)c2ccncc12.
What is the InChIKey of 5,6-dichloro-N-hydroxyisoquinoline-8-carboxamide?
The InChIKey is XANYDOZIPGQYQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl2N2O2/c11-8-3-6(10(15)14-16)7-4-13-2-1-5(7)9(8)12/h1-4,16H,(H,14,15).
What are the key properties of 5,6-dichloro-N-hydroxyisoquinoline-8-carboxamide?
5,6-dichloro-N-hydroxyisoquinoline-8-carboxamide has a molecular weight of 257.08 g/mol, XLogP of 2.66, 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-8-carboxamide is sourced from PubChem (CID 82574325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).