8-(difluoromethoxy)-2-methylquinoline-5-carboxylic acid

C12H9F2NO3 — CID 18002699

IUPAC8-(difluoromethoxy)-2-methylquinoline-5-carboxylic acid
SMILESCc1ccc2c(C(=O)O)ccc(OC(F)F)c2n1
InChIInChI=1S/C12H9F2NO3/c1-6-2-3-7-8(11(16)17)4-5-9(10(7)15-6)18-12(13)14/h2-5,12H,1H3,(H,16,17)
InChIKeyIBZGXWNYRJVFHX-UHFFFAOYSA-N
MW253.20 g/mol
LogP2.84
Rot. Bonds3

About 8-(difluoromethoxy)-2-methylquinoline-5-carboxylic acid

8-(difluoromethoxy)-2-methylquinoline-5-carboxylic acid (PubChem CID 18002699) has the molecular formula C12H9F2NO3 and a molecular weight of 253.20 g/mol. Its IUPAC name is 8-(difluoromethoxy)-2-methylquinoline-5-carboxylic acid.

Molecular Properties

Compound Name8-(difluoromethoxy)-2-methylquinoline-5-carboxylic acid
PubChem CID18002699
Molecular FormulaC12H9F2NO3
Molecular Weight253.20 g/mol
Exact Mass253.06
IUPAC Name8-(difluoromethoxy)-2-methylquinoline-5-carboxylic acid
SMILESCc1ccc2c(C(=O)O)ccc(OC(F)F)c2n1
InChIInChI=1S/C12H9F2NO3/c1-6-2-3-7-8(11(16)17)4-5-9(10(7)15-6)18-12(13)14/h2-5,12H,1H3,(H,16,17)
InChIKeyIBZGXWNYRJVFHX-UHFFFAOYSA-N
XLogP2.84
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.20
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(difluoromethoxy)-2-methylquinoline-5-carboxylic acid?
The IUPAC name of 8-(difluoromethoxy)-2-methylquinoline-5-carboxylic acid (CID 18002699) is 8-(difluoromethoxy)-2-methylquinoline-5-carboxylic acid.
What is the SMILES notation for 8-(difluoromethoxy)-2-methylquinoline-5-carboxylic acid?
The canonical SMILES for 8-(difluoromethoxy)-2-methylquinoline-5-carboxylic acid is Cc1ccc2c(C(=O)O)ccc(OC(F)F)c2n1.
What is the InChIKey of 8-(difluoromethoxy)-2-methylquinoline-5-carboxylic acid?
The InChIKey is IBZGXWNYRJVFHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F2NO3/c1-6-2-3-7-8(11(16)17)4-5-9(10(7)15-6)18-12(13)14/h2-5,12H,1H3,(H,16,17).
What are the key properties of 8-(difluoromethoxy)-2-methylquinoline-5-carboxylic acid?
8-(difluoromethoxy)-2-methylquinoline-5-carboxylic acid has a molecular weight of 253.20 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(difluoromethoxy)-2-methylquinoline-5-carboxylic acid is sourced from PubChem (CID 18002699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).