1-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]-6-oxopyridine-3-carboxylic acid

C15H10ClF3N2O4 — CID 71700191

IUPAC1-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]-6-oxopyridine-3-carboxylic acid
SMILESO=C(Cn1cc(C(=O)O)ccc1=O)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C15H10ClF3N2O4/c16-10-3-2-9(15(17,18)19)5-11(10)20-12(22)7-21-6-8(14(24)25)1-4-13(21)23/h1-6H,7H2,(H,20,22)(H,24,25)
InChIKeySZGOSUUGLLQFQI-UHFFFAOYSA-N
MW374.70 g/mol
LogP2.86
Rot. Bonds4

About 1-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]-6-oxopyridine-3-carboxylic acid

1-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]-6-oxopyridine-3-carboxylic acid (PubChem CID 71700191) has the molecular formula C15H10ClF3N2O4 and a molecular weight of 374.70 g/mol. Its IUPAC name is 1-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]-6-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]-6-oxopyridine-3-carboxylic acid
PubChem CID71700191
Molecular FormulaC15H10ClF3N2O4
Molecular Weight374.70 g/mol
Exact Mass374.03
IUPAC Name1-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]-6-oxopyridine-3-carboxylic acid
SMILESO=C(Cn1cc(C(=O)O)ccc1=O)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C15H10ClF3N2O4/c16-10-3-2-9(15(17,18)19)5-11(10)20-12(22)7-21-6-8(14(24)25)1-4-13(21)23/h1-6H,7H2,(H,20,22)(H,24,25)
InChIKeySZGOSUUGLLQFQI-UHFFFAOYSA-N
XLogP2.86
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.70
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 2099437
1-benzyl-N-[2-chloro-5-(trifluoromethyl)phenyl]-6-oxopyridine-3-carboxamide
CID 8671010
2-(azepan-1-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 722242
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 110689931
N-(3-chloro-9,10-dioxoanthracen-2-yl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 38846285
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]acetamide
CID 22194773
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide
CID 46360908
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide
CID 6467108
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide
CID 8690692
2-[2-(4-chlorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 16956485
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 5079389
N,N'-bis[2-chloro-5-(trifluoromethyl)phenyl]nonanediamide
CID 54787319

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]-6-oxopyridine-3-carboxylic acid?
The IUPAC name of 1-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]-6-oxopyridine-3-carboxylic acid (CID 71700191) is 1-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]-6-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 1-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]-6-oxopyridine-3-carboxylic acid?
The canonical SMILES for 1-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]-6-oxopyridine-3-carboxylic acid is O=C(Cn1cc(C(=O)O)ccc1=O)Nc1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of 1-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]-6-oxopyridine-3-carboxylic acid?
The InChIKey is SZGOSUUGLLQFQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF3N2O4/c16-10-3-2-9(15(17,18)19)5-11(10)20-12(22)7-21-6-8(14(24)25)1-4-13(21)23/h1-6H,7H2,(H,20,22)(H,24,25).
What are the key properties of 1-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]-6-oxopyridine-3-carboxylic acid?
1-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]-6-oxopyridine-3-carboxylic acid has a molecular weight of 374.70 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]-6-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 71700191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).