2-chloro-6-fluoro-8-methylquinoline-3-carboxylic acid

C11H7ClFNO2 — CID 114553225

IUPAC2-chloro-6-fluoro-8-methylquinoline-3-carboxylic acid
SMILESCc1cc(F)cc2cc(C(=O)O)c(Cl)nc12
InChIInChI=1S/C11H7ClFNO2/c1-5-2-7(13)3-6-4-8(11(15)16)10(12)14-9(5)6/h2-4H,1H3,(H,15,16)
InChIKeyGXTNFXFCQMAENA-UHFFFAOYSA-N
MW239.63 g/mol
LogP3.03
Rot. Bonds1

About 2-chloro-6-fluoro-8-methylquinoline-3-carboxylic acid

2-chloro-6-fluoro-8-methylquinoline-3-carboxylic acid (PubChem CID 114553225) has the molecular formula C11H7ClFNO2 and a molecular weight of 239.63 g/mol. Its IUPAC name is 2-chloro-6-fluoro-8-methylquinoline-3-carboxylic acid.

Molecular Properties

Compound Name2-chloro-6-fluoro-8-methylquinoline-3-carboxylic acid
PubChem CID114553225
Molecular FormulaC11H7ClFNO2
Molecular Weight239.63 g/mol
Exact Mass239.01
IUPAC Name2-chloro-6-fluoro-8-methylquinoline-3-carboxylic acid
SMILESCc1cc(F)cc2cc(C(=O)O)c(Cl)nc12
InChIInChI=1S/C11H7ClFNO2/c1-5-2-7(13)3-6-4-8(11(15)16)10(12)14-9(5)6/h2-4H,1H3,(H,15,16)
InChIKeyGXTNFXFCQMAENA-UHFFFAOYSA-N
XLogP3.03
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.63
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-6-fluoro-8-methylquinoline-3-carboxylic acid?
The IUPAC name of 2-chloro-6-fluoro-8-methylquinoline-3-carboxylic acid (CID 114553225) is 2-chloro-6-fluoro-8-methylquinoline-3-carboxylic acid.
What is the SMILES notation for 2-chloro-6-fluoro-8-methylquinoline-3-carboxylic acid?
The canonical SMILES for 2-chloro-6-fluoro-8-methylquinoline-3-carboxylic acid is Cc1cc(F)cc2cc(C(=O)O)c(Cl)nc12.
What is the InChIKey of 2-chloro-6-fluoro-8-methylquinoline-3-carboxylic acid?
The InChIKey is GXTNFXFCQMAENA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClFNO2/c1-5-2-7(13)3-6-4-8(11(15)16)10(12)14-9(5)6/h2-4H,1H3,(H,15,16).
What are the key properties of 2-chloro-6-fluoro-8-methylquinoline-3-carboxylic acid?
2-chloro-6-fluoro-8-methylquinoline-3-carboxylic acid has a molecular weight of 239.63 g/mol, XLogP of 3.03, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-8-methylquinoline-3-carboxylic acid is sourced from PubChem (CID 114553225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).