5-bromo-3-chloro-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide

C8H5BrClF3N2O — CID 155923576

IUPAC5-bromo-3-chloro-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
SMILESO=C(NCC(F)(F)F)c1ncc(Br)cc1Cl
InChIInChI=1S/C8H5BrClF3N2O/c9-4-1-5(10)6(14-2-4)7(16)15-3-8(11,12)13/h1-2H,3H2,(H,15,16)
InChIKeyYFHWPALAAYHYMM-UHFFFAOYSA-N
MW317.49 g/mol
LogP2.79
Rot. Bonds2

About 5-bromo-3-chloro-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide

5-bromo-3-chloro-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide (PubChem CID 155923576) has the molecular formula C8H5BrClF3N2O and a molecular weight of 317.49 g/mol. Its IUPAC name is 5-bromo-3-chloro-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-bromo-3-chloro-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
PubChem CID155923576
Molecular FormulaC8H5BrClF3N2O
Molecular Weight317.49 g/mol
Exact Mass315.92
IUPAC Name5-bromo-3-chloro-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
SMILESO=C(NCC(F)(F)F)c1ncc(Br)cc1Cl
InChIInChI=1S/C8H5BrClF3N2O/c9-4-1-5(10)6(14-2-4)7(16)15-3-8(11,12)13/h1-2H,3H2,(H,15,16)
InChIKeyYFHWPALAAYHYMM-UHFFFAOYSA-N
XLogP2.79
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.49
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-bromo-3-chloro-N-(2,2,2-trifluoroethyl)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

5-bromo-3-chloro-N-(2,2-dimethylpropyl)pyridine-2-carboxamide
CID 70896660
5-bromo-3-fluoro-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
CID 172610049
5-bromo-3-chloro-N-ethylpyridine-2-carboxamide
CID 155923575
3-chloro-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
CID 175833514
5-bromo-3-chloro-N-propan-2-ylpyridine-2-carboxamide
CID 155923574
2,5-dichloro-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
CID 114917186
1-(5-bromo-3-chloro-2-pyridinyl)propan-1-one
CID 174823193
5-bromo-2-chloro-N-(2,2-difluoro-3-hydroxypropyl)pyridine-3-carboxamide
CID 104858028
5-(4-amino-7-bromo-2-iodo-1-methylpyrrolo[3,2-c]pyridin-3-yl)-3-chloro-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
CID 172609794
N-[(2Z)-2-(5-bromo-3-chloro-2-pyridinyl)-2-methoxyiminoethyl]-2-(trifluoromethyl)benzamide
CID 141385424
2-(4-bromo-2-chloroanilino)-N-(2,2,2-trifluoroethyl)acetamide
CID 60690990
5-chloro-6-(propylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 62172627

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-chloro-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide?
The IUPAC name of 5-bromo-3-chloro-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide (CID 155923576) is 5-bromo-3-chloro-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-bromo-3-chloro-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide?
The canonical SMILES for 5-bromo-3-chloro-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide is O=C(NCC(F)(F)F)c1ncc(Br)cc1Cl.
What is the InChIKey of 5-bromo-3-chloro-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide?
The InChIKey is YFHWPALAAYHYMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrClF3N2O/c9-4-1-5(10)6(14-2-4)7(16)15-3-8(11,12)13/h1-2H,3H2,(H,15,16).
What are the key properties of 5-bromo-3-chloro-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide?
5-bromo-3-chloro-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide has a molecular weight of 317.49 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-chloro-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide is sourced from PubChem (CID 155923576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).