3-bromo-N-ethyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide

C10H10BrF3N2O — CID 107518835

IUPAC3-bromo-N-ethyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
SMILESCCN(CC(F)(F)F)C(=O)c1ncccc1Br
InChIInChI=1S/C10H10BrF3N2O/c1-2-16(6-10(12,13)14)9(17)8-7(11)4-3-5-15-8/h3-5H,2,6H2,1H3
InChIKeyBIYRPBJICUWGED-UHFFFAOYSA-N
MW311.10 g/mol
LogP2.87
Rot. Bonds3

About 3-bromo-N-ethyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide

3-bromo-N-ethyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide (PubChem CID 107518835) has the molecular formula C10H10BrF3N2O and a molecular weight of 311.10 g/mol. Its IUPAC name is 3-bromo-N-ethyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-ethyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
PubChem CID107518835
Molecular FormulaC10H10BrF3N2O
Molecular Weight311.10 g/mol
Exact Mass309.99
IUPAC Name3-bromo-N-ethyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
SMILESCCN(CC(F)(F)F)C(=O)c1ncccc1Br
InChIInChI=1S/C10H10BrF3N2O/c1-2-16(6-10(12,13)14)9(17)8-7(11)4-3-5-15-8/h3-5H,2,6H2,1H3
InChIKeyBIYRPBJICUWGED-UHFFFAOYSA-N
XLogP2.87
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.10
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-(2-bromoethyl)-N-ethylpyridine-2-carboxamide
CID 107526189
methyl 2-[(3-bromopyridine-2-carbonyl)-ethylamino]acetate
CID 107518830
3-bromo-N-ethyl-N-[(3-fluorophenyl)methyl]pyridine-2-carboxamide
CID 107518452
3-bromo-N,N-bis(2-methylpropyl)pyridine-2-carboxamide
CID 107518180
3-bromo-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide
CID 107519162
3-bromo-N,N-bis(prop-2-enyl)pyridine-2-carboxamide
CID 107517815
3-bromo-N,N-bis(cyanomethyl)pyridine-2-carboxamide
CID 107517745
3-bromo-N-methyl-N-pentan-3-ylpyridine-2-carboxamide
CID 107517936
3-hydroxy-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
CID 55009007
3-bromo-N-propan-2-yl-N-propylpyridine-2-carboxamide
CID 107517877
3-bromo-N-[2-(diethylamino)ethyl]pyridine-2-carboxamide
CID 107517764
2-[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]pyridine-3-carboxylic acid
CID 63616260

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-ethyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide?
The IUPAC name of 3-bromo-N-ethyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide (CID 107518835) is 3-bromo-N-ethyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-bromo-N-ethyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide?
The canonical SMILES for 3-bromo-N-ethyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide is CCN(CC(F)(F)F)C(=O)c1ncccc1Br.
What is the InChIKey of 3-bromo-N-ethyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide?
The InChIKey is BIYRPBJICUWGED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrF3N2O/c1-2-16(6-10(12,13)14)9(17)8-7(11)4-3-5-15-8/h3-5H,2,6H2,1H3.
What are the key properties of 3-bromo-N-ethyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide?
3-bromo-N-ethyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide has a molecular weight of 311.10 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-ethyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide is sourced from PubChem (CID 107518835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).