2-chloro-7-hydroxyquinoline-6-carboxamide

C10H7ClN2O2 — CID 151025538

IUPAC2-chloro-7-hydroxyquinoline-6-carboxamide
SMILESNC(=O)c1cc2ccc(Cl)nc2cc1O
InChIInChI=1S/C10H7ClN2O2/c11-9-2-1-5-3-6(10(12)15)8(14)4-7(5)13-9/h1-4,14H,(H2,12,15)
InChIKeyLYYTZZPUVIUBPP-UHFFFAOYSA-N
MW222.63 g/mol
LogP1.69
Rot. Bonds1

About 2-chloro-7-hydroxyquinoline-6-carboxamide

2-chloro-7-hydroxyquinoline-6-carboxamide (PubChem CID 151025538) has the molecular formula C10H7ClN2O2 and a molecular weight of 222.63 g/mol. Its IUPAC name is 2-chloro-7-hydroxyquinoline-6-carboxamide.

Molecular Properties

Compound Name2-chloro-7-hydroxyquinoline-6-carboxamide
PubChem CID151025538
Molecular FormulaC10H7ClN2O2
Molecular Weight222.63 g/mol
Exact Mass222.02
IUPAC Name2-chloro-7-hydroxyquinoline-6-carboxamide
SMILESNC(=O)c1cc2ccc(Cl)nc2cc1O
InChIInChI=1S/C10H7ClN2O2/c11-9-2-1-5-3-6(10(12)15)8(14)4-7(5)13-9/h1-4,14H,(H2,12,15)
InChIKeyLYYTZZPUVIUBPP-UHFFFAOYSA-N
XLogP1.69
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.63
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-7-hydroxyquinoline-6-carboxamide?
The IUPAC name of 2-chloro-7-hydroxyquinoline-6-carboxamide (CID 151025538) is 2-chloro-7-hydroxyquinoline-6-carboxamide.
What is the SMILES notation for 2-chloro-7-hydroxyquinoline-6-carboxamide?
The canonical SMILES for 2-chloro-7-hydroxyquinoline-6-carboxamide is NC(=O)c1cc2ccc(Cl)nc2cc1O.
What is the InChIKey of 2-chloro-7-hydroxyquinoline-6-carboxamide?
The InChIKey is LYYTZZPUVIUBPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN2O2/c11-9-2-1-5-3-6(10(12)15)8(14)4-7(5)13-9/h1-4,14H,(H2,12,15).
What are the key properties of 2-chloro-7-hydroxyquinoline-6-carboxamide?
2-chloro-7-hydroxyquinoline-6-carboxamide has a molecular weight of 222.63 g/mol, XLogP of 1.69, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-7-hydroxyquinoline-6-carboxamide is sourced from PubChem (CID 151025538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).