methyl 6-chloro-1-hydroxy-2-iminoquinoline-3-carboxylate

C11H9ClN2O3 — CID 177471032

IUPACmethyl 6-chloro-1-hydroxy-2-iminoquinoline-3-carboxylate
SMILES[H]/N=c1/c(C(=O)OC)cc2cc(Cl)ccc2n1O
InChIInChI=1S/C11H9ClN2O3/c1-17-11(15)8-5-6-4-7(12)2-3-9(6)14(16)10(8)13/h2-5,13,16H,1H3/b13-10-
InChIKeyOIXVASFFFRYIJT-RAXLEYEMSA-N
MW252.66 g/mol
LogP1.80
Rot. Bonds1

About methyl 6-chloro-1-hydroxy-2-iminoquinoline-3-carboxylate

methyl 6-chloro-1-hydroxy-2-iminoquinoline-3-carboxylate (PubChem CID 177471032) has the molecular formula C11H9ClN2O3 and a molecular weight of 252.66 g/mol. Its IUPAC name is methyl 6-chloro-1-hydroxy-2-iminoquinoline-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-chloro-1-hydroxy-2-iminoquinoline-3-carboxylate
PubChem CID177471032
Molecular FormulaC11H9ClN2O3
Molecular Weight252.66 g/mol
Exact Mass252.03
IUPAC Namemethyl 6-chloro-1-hydroxy-2-iminoquinoline-3-carboxylate
SMILES[H]/N=c1/c(C(=O)OC)cc2cc(Cl)ccc2n1O
InChIInChI=1S/C11H9ClN2O3/c1-17-11(15)8-5-6-4-7(12)2-3-9(6)14(16)10(8)13/h2-5,13,16H,1H3/b13-10-
InChIKeyOIXVASFFFRYIJT-RAXLEYEMSA-N
XLogP1.80
TPSA75.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.66
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl 6-chloro-1-hydroxy-2-iminoquinoline-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 6-chloro-1-hydroxy-2-iminoquinoline-3-carboxylate?
The IUPAC name of methyl 6-chloro-1-hydroxy-2-iminoquinoline-3-carboxylate (CID 177471032) is methyl 6-chloro-1-hydroxy-2-iminoquinoline-3-carboxylate.
What is the SMILES notation for methyl 6-chloro-1-hydroxy-2-iminoquinoline-3-carboxylate?
The canonical SMILES for methyl 6-chloro-1-hydroxy-2-iminoquinoline-3-carboxylate is [H]/N=c1/c(C(=O)OC)cc2cc(Cl)ccc2n1O.
What is the InChIKey of methyl 6-chloro-1-hydroxy-2-iminoquinoline-3-carboxylate?
The InChIKey is OIXVASFFFRYIJT-RAXLEYEMSA-N. The full InChI is InChI=1S/C11H9ClN2O3/c1-17-11(15)8-5-6-4-7(12)2-3-9(6)14(16)10(8)13/h2-5,13,16H,1H3/b13-10-.
What are the key properties of methyl 6-chloro-1-hydroxy-2-iminoquinoline-3-carboxylate?
methyl 6-chloro-1-hydroxy-2-iminoquinoline-3-carboxylate has a molecular weight of 252.66 g/mol, XLogP of 1.80, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-chloro-1-hydroxy-2-iminoquinoline-3-carboxylate is sourced from PubChem (CID 177471032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).