3-bromo-N-[2-(trifluoromethoxy)phenyl]pyridine-2-carboxamide

C13H8BrF3N2O2 — CID 107517737

IUPAC3-bromo-N-[2-(trifluoromethoxy)phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1ccccc1OC(F)(F)F)c1ncccc1Br
InChIInChI=1S/C13H8BrF3N2O2/c14-8-4-3-7-18-11(8)12(20)19-9-5-1-2-6-10(9)21-13(15,16)17/h1-7H,(H,19,20)
InChIKeyLMCRWXNRXLCOSK-UHFFFAOYSA-N
MW361.12 g/mol
LogP3.99
Rot. Bonds3

About 3-bromo-N-[2-(trifluoromethoxy)phenyl]pyridine-2-carboxamide

3-bromo-N-[2-(trifluoromethoxy)phenyl]pyridine-2-carboxamide (PubChem CID 107517737) has the molecular formula C13H8BrF3N2O2 and a molecular weight of 361.12 g/mol. Its IUPAC name is 3-bromo-N-[2-(trifluoromethoxy)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-[2-(trifluoromethoxy)phenyl]pyridine-2-carboxamide
PubChem CID107517737
Molecular FormulaC13H8BrF3N2O2
Molecular Weight361.12 g/mol
Exact Mass359.97
IUPAC Name3-bromo-N-[2-(trifluoromethoxy)phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1ccccc1OC(F)(F)F)c1ncccc1Br
InChIInChI=1S/C13H8BrF3N2O2/c14-8-4-3-7-18-11(8)12(20)19-9-5-1-2-6-10(9)21-13(15,16)17/h1-7H,(H,19,20)
InChIKeyLMCRWXNRXLCOSK-UHFFFAOYSA-N
XLogP3.99
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.12
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-[2-(hydroxymethyl)phenyl]pyridine-2-carboxamide
CID 107518361
6-methyl-N-[2-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 18149472
3-hydroxy-N-(2-methoxyphenyl)pyridine-2-carboxamide
CID 54860878
N-[2-(trifluoromethoxy)phenyl]-2H-triazole-4-carboxamide
CID 47355443
4-iodo-N-[2-(trifluoromethoxy)phenyl]benzamide
CID 43034347
N-(2-ethoxyphenyl)-3-hydroxypyridine-2-carboxamide
CID 54860891
3-bromo-N-(5-bromo-2-methoxyphenyl)pyridine-2-carboxamide
CID 107517604
2-methyl-N-[2-(trifluoromethoxy)phenyl]benzamide
CID 17395074
3-bromo-N-[2-(trifluoromethoxy)phenyl]propanamide
CID 112683678
3,5-dimethyl-N-[2-(trifluoromethoxy)phenyl]benzamide
CID 16572159
5-ethyl-1-phenyl-N-[2-(trifluoromethoxy)phenyl]triazole-4-carboxamide
CID 24825153
6-oxo-N-[2-(trifluoromethoxy)phenyl]-1H-pyridine-3-carboxamide
CID 28880165

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[2-(trifluoromethoxy)phenyl]pyridine-2-carboxamide?
The IUPAC name of 3-bromo-N-[2-(trifluoromethoxy)phenyl]pyridine-2-carboxamide (CID 107517737) is 3-bromo-N-[2-(trifluoromethoxy)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 3-bromo-N-[2-(trifluoromethoxy)phenyl]pyridine-2-carboxamide?
The canonical SMILES for 3-bromo-N-[2-(trifluoromethoxy)phenyl]pyridine-2-carboxamide is O=C(Nc1ccccc1OC(F)(F)F)c1ncccc1Br.
What is the InChIKey of 3-bromo-N-[2-(trifluoromethoxy)phenyl]pyridine-2-carboxamide?
The InChIKey is LMCRWXNRXLCOSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrF3N2O2/c14-8-4-3-7-18-11(8)12(20)19-9-5-1-2-6-10(9)21-13(15,16)17/h1-7H,(H,19,20).
What are the key properties of 3-bromo-N-[2-(trifluoromethoxy)phenyl]pyridine-2-carboxamide?
3-bromo-N-[2-(trifluoromethoxy)phenyl]pyridine-2-carboxamide has a molecular weight of 361.12 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[2-(trifluoromethoxy)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 107517737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).