3-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-5-(trifluoromethyl)pyridine-2-carboxamide

C13H6ClF6N3O2 — CID 103596180

IUPAC3-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESNC(=O)c1ncc(C(F)(F)F)cc1-n1cc(C(F)(F)F)cc(Cl)c1=O
InChIInChI=1S/C13H6ClF6N3O2/c14-7-1-6(13(18,19)20)4-23(11(7)25)8-2-5(12(15,16)17)3-22-9(8)10(21)24/h1-4H,(H2,21,24)
InChIKeyXRTAGYUXNQESCM-UHFFFAOYSA-N
MW385.65 g/mol
LogP3.02
Rot. Bonds2

About 3-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-5-(trifluoromethyl)pyridine-2-carboxamide

3-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-5-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 103596180) has the molecular formula C13H6ClF6N3O2 and a molecular weight of 385.65 g/mol. Its IUPAC name is 3-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-5-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-5-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID103596180
Molecular FormulaC13H6ClF6N3O2
Molecular Weight385.65 g/mol
Exact Mass385.01
IUPAC Name3-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESNC(=O)c1ncc(C(F)(F)F)cc1-n1cc(C(F)(F)F)cc(Cl)c1=O
InChIInChI=1S/C13H6ClF6N3O2/c14-7-1-6(13(18,19)20)4-23(11(7)25)8-2-5(12(15,16)17)3-22-9(8)10(21)24/h1-4H,(H2,21,24)
InChIKeyXRTAGYUXNQESCM-UHFFFAOYSA-N
XLogP3.02
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.65
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-5-(trifluoromethyl)pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-5-(trifluoromethyl)pyridine-2-carbonitrile
CID 103596169
3-[6-oxo-4-(trifluoromethyl)pyrimidin-1-yl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 103596184
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,2,2-trifluoroethanone
CID 137346954
3-fluoro-5-(trifluoromethyl)pyridine-2-carboxamide
CID 66545196
3-fluoro-5-(trifluoromethyl)pyridine-2-carboxamide;formic acid
CID 67467045
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-oxoacetic acid
CID 139035182
3-(3,5-dichlorophenoxy)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 3780229
4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
CID 1486166
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-methylamino]-1-oxoisoquinoline-4-carboxamide
CID 3252409
N-[3-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]phenyl]acetamide
CID 44544031
N-carbamoyl-3-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]propanamide
CID 51074834
4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-hydroxybut-3-en-2-one
CID 7075350

Frequently Asked Questions

What is the IUPAC name of 3-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-5-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of 3-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-5-(trifluoromethyl)pyridine-2-carboxamide (CID 103596180) is 3-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-5-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-5-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for 3-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-5-(trifluoromethyl)pyridine-2-carboxamide is NC(=O)c1ncc(C(F)(F)F)cc1-n1cc(C(F)(F)F)cc(Cl)c1=O.
What is the InChIKey of 3-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-5-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is XRTAGYUXNQESCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6ClF6N3O2/c14-7-1-6(13(18,19)20)4-23(11(7)25)8-2-5(12(15,16)17)3-22-9(8)10(21)24/h1-4H,(H2,21,24).
What are the key properties of 3-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-5-(trifluoromethyl)pyridine-2-carboxamide?
3-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-5-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 385.65 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-5-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 103596180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).