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

C10H8BrF3N2O2 — CID 113227500

IUPACN-(2-bromoprop-2-enyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESC=C(Br)CNC(=O)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C10H8BrF3N2O2/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)
InChIKeyGRUSBDLMHCSMHT-UHFFFAOYSA-N
MW325.08 g/mol
LogP2.03
Rot. Bonds3

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

N-(2-bromoprop-2-enyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 113227500) has the molecular formula C10H8BrF3N2O2 and a molecular weight of 325.08 g/mol. Its IUPAC name is N-(2-bromoprop-2-enyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-bromoprop-2-enyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID113227500
Molecular FormulaC10H8BrF3N2O2
Molecular Weight325.08 g/mol
Exact Mass323.97
IUPAC NameN-(2-bromoprop-2-enyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESC=C(Br)CNC(=O)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C10H8BrF3N2O2/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)
InChIKeyGRUSBDLMHCSMHT-UHFFFAOYSA-N
XLogP2.03
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.08
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dimethyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 25030824
N-Allyl-5-bromo-2-oxo-6-(trifluoromethyl)-1,2-dihydropyridine-3-carboxamide
CID 59828233
N-Cyclobutyl-2-oxo-6-(trifluoromethyl)-1,2-dihydropyridine-3-carboxamide
CID 59828237
6-(Difluoromethyl)-N-isopropyl-2-oxo-1,2-dihydropyridine-3-carboxamide
CID 59828239
N-methyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 60708591
5-bromo-6-(difluoromethyl)-N-(3-methoxypropyl)-2-oxo-1H-pyridine-3-carboxamide
CID 68380269
N,1-dimethyl-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide
CID 68491556
5-Bromo-2-oxo-6-(trifluoromethyl)-1,2-dihydropyridine-3-carboxamide
CID 145926823
6-(Difluoromethyl)-2-oxo-1-propan-2-ylpyridine-3-carboxamide
CID 154046702
CID 155571882
CID 155571882
N-prop-2-ynyl-6-(trifluoromethyl)-1,2-dihydropyridine-3-carboxamide
CID 156037952
1-ethyl-N-methyl-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide
CID 172376787

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoprop-2-enyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of N-(2-bromoprop-2-enyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 113227500) is N-(2-bromoprop-2-enyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(2-bromoprop-2-enyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(2-bromoprop-2-enyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is C=C(Br)CNC(=O)c1ccc(C(F)(F)F)[nH]c1=O.
What is the InChIKey of N-(2-bromoprop-2-enyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is GRUSBDLMHCSMHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrF3N2O2/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-bromoprop-2-enyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
N-(2-bromoprop-2-enyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 325.08 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoprop-2-enyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 113227500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).