6-chloro-1-hydroxy-2-iminoquinoline-3-carboxylic acid

C10H7ClN2O3 — CID 66806866

IUPAC6-chloro-1-hydroxy-2-iminoquinoline-3-carboxylic acid
SMILES[H]/N=c1/c(C(=O)O)cc2cc(Cl)ccc2n1O
InChIInChI=1S/C10H7ClN2O3/c11-6-1-2-8-5(3-6)4-7(10(14)15)9(12)13(8)16/h1-4,12,16H,(H,14,15)/b12-9-
InChIKeyFOHGGALMCAFNMF-XFXZXTDPSA-N
MW238.63 g/mol
LogP1.71
Rot. Bonds1

About 6-chloro-1-hydroxy-2-iminoquinoline-3-carboxylic acid

6-chloro-1-hydroxy-2-iminoquinoline-3-carboxylic acid (PubChem CID 66806866) has the molecular formula C10H7ClN2O3 and a molecular weight of 238.63 g/mol. Its IUPAC name is 6-chloro-1-hydroxy-2-iminoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name6-chloro-1-hydroxy-2-iminoquinoline-3-carboxylic acid
PubChem CID66806866
Molecular FormulaC10H7ClN2O3
Molecular Weight238.63 g/mol
Exact Mass238.01
IUPAC Name6-chloro-1-hydroxy-2-iminoquinoline-3-carboxylic acid
SMILES[H]/N=c1/c(C(=O)O)cc2cc(Cl)ccc2n1O
InChIInChI=1S/C10H7ClN2O3/c11-6-1-2-8-5(3-6)4-7(10(14)15)9(12)13(8)16/h1-4,12,16H,(H,14,15)/b12-9-
InChIKeyFOHGGALMCAFNMF-XFXZXTDPSA-N
XLogP1.71
TPSA86.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.63
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-hydroxy-2-iminoquinoline-3-carboxylic acid?
The IUPAC name of 6-chloro-1-hydroxy-2-iminoquinoline-3-carboxylic acid (CID 66806866) is 6-chloro-1-hydroxy-2-iminoquinoline-3-carboxylic acid.
What is the SMILES notation for 6-chloro-1-hydroxy-2-iminoquinoline-3-carboxylic acid?
The canonical SMILES for 6-chloro-1-hydroxy-2-iminoquinoline-3-carboxylic acid is [H]/N=c1/c(C(=O)O)cc2cc(Cl)ccc2n1O.
What is the InChIKey of 6-chloro-1-hydroxy-2-iminoquinoline-3-carboxylic acid?
The InChIKey is FOHGGALMCAFNMF-XFXZXTDPSA-N. The full InChI is InChI=1S/C10H7ClN2O3/c11-6-1-2-8-5(3-6)4-7(10(14)15)9(12)13(8)16/h1-4,12,16H,(H,14,15)/b12-9-.
What are the key properties of 6-chloro-1-hydroxy-2-iminoquinoline-3-carboxylic acid?
6-chloro-1-hydroxy-2-iminoquinoline-3-carboxylic acid has a molecular weight of 238.63 g/mol, XLogP of 1.71, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-hydroxy-2-iminoquinoline-3-carboxylic acid is sourced from PubChem (CID 66806866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).