6-[5-fluoro-2-(trifluoromethyl)benzoyl]-7,8-dihydro-5H-1,6-naphthyridine-2-carboxylic acid

C17H12F4N2O3 — CID 69398290

IUPAC6-[5-fluoro-2-(trifluoromethyl)benzoyl]-7,8-dihydro-5H-1,6-naphthyridine-2-carboxylic acid
SMILESO=C(O)c1ccc2c(n1)CCN(C(=O)c1cc(F)ccc1C(F)(F)F)C2
InChIInChI=1S/C17H12F4N2O3/c18-10-2-3-12(17(19,20)21)11(7-10)15(24)23-6-5-13-9(8-23)1-4-14(22-13)16(25)26/h1-4,7H,5-6,8H2,(H,25,26)
InChIKeyGRZDEOXMPWRCFY-UHFFFAOYSA-N
MW368.29 g/mol
LogP3.14
Rot. Bonds2

About 6-[5-fluoro-2-(trifluoromethyl)benzoyl]-7,8-dihydro-5H-1,6-naphthyridine-2-carboxylic acid

6-[5-fluoro-2-(trifluoromethyl)benzoyl]-7,8-dihydro-5H-1,6-naphthyridine-2-carboxylic acid (PubChem CID 69398290) has the molecular formula C17H12F4N2O3 and a molecular weight of 368.29 g/mol. Its IUPAC name is 6-[5-fluoro-2-(trifluoromethyl)benzoyl]-7,8-dihydro-5H-1,6-naphthyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[5-fluoro-2-(trifluoromethyl)benzoyl]-7,8-dihydro-5H-1,6-naphthyridine-2-carboxylic acid
PubChem CID69398290
Molecular FormulaC17H12F4N2O3
Molecular Weight368.29 g/mol
Exact Mass368.08
IUPAC Name6-[5-fluoro-2-(trifluoromethyl)benzoyl]-7,8-dihydro-5H-1,6-naphthyridine-2-carboxylic acid
SMILESO=C(O)c1ccc2c(n1)CCN(C(=O)c1cc(F)ccc1C(F)(F)F)C2
InChIInChI=1S/C17H12F4N2O3/c18-10-2-3-12(17(19,20)21)11(7-10)15(24)23-6-5-13-9(8-23)1-4-14(22-13)16(25)26/h1-4,7H,5-6,8H2,(H,25,26)
InChIKeyGRZDEOXMPWRCFY-UHFFFAOYSA-N
XLogP3.14
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.29
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[5-fluoro-2-(trifluoromethyl)benzoyl]-7,8-dihydro-5H-1,6-naphthyridine-2-carboxylic acid?
The IUPAC name of 6-[5-fluoro-2-(trifluoromethyl)benzoyl]-7,8-dihydro-5H-1,6-naphthyridine-2-carboxylic acid (CID 69398290) is 6-[5-fluoro-2-(trifluoromethyl)benzoyl]-7,8-dihydro-5H-1,6-naphthyridine-2-carboxylic acid.
What is the SMILES notation for 6-[5-fluoro-2-(trifluoromethyl)benzoyl]-7,8-dihydro-5H-1,6-naphthyridine-2-carboxylic acid?
The canonical SMILES for 6-[5-fluoro-2-(trifluoromethyl)benzoyl]-7,8-dihydro-5H-1,6-naphthyridine-2-carboxylic acid is O=C(O)c1ccc2c(n1)CCN(C(=O)c1cc(F)ccc1C(F)(F)F)C2.
What is the InChIKey of 6-[5-fluoro-2-(trifluoromethyl)benzoyl]-7,8-dihydro-5H-1,6-naphthyridine-2-carboxylic acid?
The InChIKey is GRZDEOXMPWRCFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F4N2O3/c18-10-2-3-12(17(19,20)21)11(7-10)15(24)23-6-5-13-9(8-23)1-4-14(22-13)16(25)26/h1-4,7H,5-6,8H2,(H,25,26).
What are the key properties of 6-[5-fluoro-2-(trifluoromethyl)benzoyl]-7,8-dihydro-5H-1,6-naphthyridine-2-carboxylic acid?
6-[5-fluoro-2-(trifluoromethyl)benzoyl]-7,8-dihydro-5H-1,6-naphthyridine-2-carboxylic acid has a molecular weight of 368.29 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-fluoro-2-(trifluoromethyl)benzoyl]-7,8-dihydro-5H-1,6-naphthyridine-2-carboxylic acid is sourced from PubChem (CID 69398290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).