N-(2-chloroprop-2-enyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

C10H8ClF3N2O2 — CID 115636883

IUPACN-(2-chloroprop-2-enyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESC=C(Cl)CNC(=O)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C10H8ClF3N2O2/c1-5(11)4-15-8(17)6-2-3-7(10(12,13)14)16-9(6)18/h2-3H,1,4H2,(H,15,17)(H,16,18)
InChIKeyPJUGGZGZGHJBKN-UHFFFAOYSA-N
MW280.63 g/mol
LogP1.88
Rot. Bonds3

About N-(2-chloroprop-2-enyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

N-(2-chloroprop-2-enyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 115636883) has the molecular formula C10H8ClF3N2O2 and a molecular weight of 280.63 g/mol. Its IUPAC name is N-(2-chloroprop-2-enyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-chloroprop-2-enyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID115636883
Molecular FormulaC10H8ClF3N2O2
Molecular Weight280.63 g/mol
Exact Mass280.02
IUPAC NameN-(2-chloroprop-2-enyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESC=C(Cl)CNC(=O)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C10H8ClF3N2O2/c1-5(11)4-15-8(17)6-2-3-7(10(12,13)14)16-9(6)18/h2-3H,1,4H2,(H,15,17)(H,16,18)
InChIKeyPJUGGZGZGHJBKN-UHFFFAOYSA-N
XLogP1.88
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.63
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloroprop-2-enyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of N-(2-chloroprop-2-enyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 115636883) is N-(2-chloroprop-2-enyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(2-chloroprop-2-enyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(2-chloroprop-2-enyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is C=C(Cl)CNC(=O)c1ccc(C(F)(F)F)[nH]c1=O.
What is the InChIKey of N-(2-chloroprop-2-enyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is PJUGGZGZGHJBKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClF3N2O2/c1-5(11)4-15-8(17)6-2-3-7(10(12,13)14)16-9(6)18/h2-3H,1,4H2,(H,15,17)(H,16,18).
What are the key properties of N-(2-chloroprop-2-enyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
N-(2-chloroprop-2-enyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 280.63 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroprop-2-enyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 115636883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).