2-[2-oxo-6-(trifluoromethyl)-1H-quinolin-3-yl]acetic acid

C12H8F3NO3 — CID 68754879

IUPAC2-[2-oxo-6-(trifluoromethyl)-1H-quinolin-3-yl]acetic acid
SMILESO=C(O)Cc1cc2cc(C(F)(F)F)ccc2[nH]c1=O
InChIInChI=1S/C12H8F3NO3/c13-12(14,15)8-1-2-9-6(4-8)3-7(5-10(17)18)11(19)16-9/h1-4H,5H2,(H,16,19)(H,17,18)
InChIKeyRMBIWVZLANSKGW-UHFFFAOYSA-N
MW271.19 g/mol
LogP2.17
Rot. Bonds2

About 2-[2-oxo-6-(trifluoromethyl)-1H-quinolin-3-yl]acetic acid

2-[2-oxo-6-(trifluoromethyl)-1H-quinolin-3-yl]acetic acid (PubChem CID 68754879) has the molecular formula C12H8F3NO3 and a molecular weight of 271.19 g/mol. Its IUPAC name is 2-[2-oxo-6-(trifluoromethyl)-1H-quinolin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[2-oxo-6-(trifluoromethyl)-1H-quinolin-3-yl]acetic acid
PubChem CID68754879
Molecular FormulaC12H8F3NO3
Molecular Weight271.19 g/mol
Exact Mass271.05
IUPAC Name2-[2-oxo-6-(trifluoromethyl)-1H-quinolin-3-yl]acetic acid
SMILESO=C(O)Cc1cc2cc(C(F)(F)F)ccc2[nH]c1=O
InChIInChI=1S/C12H8F3NO3/c13-12(14,15)8-1-2-9-6(4-8)3-7(5-10(17)18)11(19)16-9/h1-4H,5H2,(H,16,19)(H,17,18)
InChIKeyRMBIWVZLANSKGW-UHFFFAOYSA-N
XLogP2.17
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.19
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-acetyl-6-(trifluoromethyl)-1H-quinolin-2-one
CID 122377198
3-chloro-6-(trifluoromethyl)-1H-quinolin-2-one
CID 146035766
2-[2-methyl-5-(trifluoromethyl)-1H-indol-3-yl]acetic acid
CID 22490524
6-(trifluoromethyl)-1,4-dihydroquinoxaline-2,3-dione;hydrochloride
CID 140995294
[5-(trifluoromethyl)-1H-indol-2-yl]methanamine
CID 117195095
2-oxo-6-[3-(trifluoromethyl)phenyl]-1H-quinoline-3-carboxylic acid
CID 91900847
N,N-dimethyl-5-(trifluoromethyl)-1H-indole-2-carboxamide
CID 126644745
[5-(trifluoromethyl)-1H-indol-2-yl]methyl propanoate
CID 174546520
2-(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)acetic acid
CID 82048474
6-tert-butyl-2-oxo-1H-quinoline-3-carboxylic acid
CID 22690291
3-(hydroxymethyl)-6-(trifluoromethyl)-1H-quinoxalin-2-one
CID 123788014
2-[2-oxo-6-(trifluoromethyl)-1H-pyridin-3-yl]acetic acid
CID 118704083

Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-6-(trifluoromethyl)-1H-quinolin-3-yl]acetic acid?
The IUPAC name of 2-[2-oxo-6-(trifluoromethyl)-1H-quinolin-3-yl]acetic acid (CID 68754879) is 2-[2-oxo-6-(trifluoromethyl)-1H-quinolin-3-yl]acetic acid.
What is the SMILES notation for 2-[2-oxo-6-(trifluoromethyl)-1H-quinolin-3-yl]acetic acid?
The canonical SMILES for 2-[2-oxo-6-(trifluoromethyl)-1H-quinolin-3-yl]acetic acid is O=C(O)Cc1cc2cc(C(F)(F)F)ccc2[nH]c1=O.
What is the InChIKey of 2-[2-oxo-6-(trifluoromethyl)-1H-quinolin-3-yl]acetic acid?
The InChIKey is RMBIWVZLANSKGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3NO3/c13-12(14,15)8-1-2-9-6(4-8)3-7(5-10(17)18)11(19)16-9/h1-4H,5H2,(H,16,19)(H,17,18).
What are the key properties of 2-[2-oxo-6-(trifluoromethyl)-1H-quinolin-3-yl]acetic acid?
2-[2-oxo-6-(trifluoromethyl)-1H-quinolin-3-yl]acetic acid has a molecular weight of 271.19 g/mol, XLogP of 2.17, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-6-(trifluoromethyl)-1H-quinolin-3-yl]acetic acid is sourced from PubChem (CID 68754879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).