4-bromo-N-[2-chloro-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide

C13H7BrClF3N2O — CID 132587573

IUPAC4-bromo-N-[2-chloro-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1Cl)c1cc(Br)ccn1
InChIInChI=1S/C13H7BrClF3N2O/c14-8-3-4-19-11(6-8)12(21)20-10-5-7(13(16,17)18)1-2-9(10)15/h1-6H,(H,20,21)
InChIKeyMCBKACPKBMJMCM-UHFFFAOYSA-N
MW379.56 g/mol
LogP4.77
Rot. Bonds2

About 4-bromo-N-[2-chloro-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide

4-bromo-N-[2-chloro-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide (PubChem CID 132587573) has the molecular formula C13H7BrClF3N2O and a molecular weight of 379.56 g/mol. Its IUPAC name is 4-bromo-N-[2-chloro-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[2-chloro-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide
PubChem CID132587573
Molecular FormulaC13H7BrClF3N2O
Molecular Weight379.56 g/mol
Exact Mass377.94
IUPAC Name4-bromo-N-[2-chloro-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1Cl)c1cc(Br)ccn1
InChIInChI=1S/C13H7BrClF3N2O/c14-8-3-4-19-11(6-8)12(21)20-10-5-7(13(16,17)18)1-2-9(10)15/h1-6H,(H,20,21)
InChIKeyMCBKACPKBMJMCM-UHFFFAOYSA-N
XLogP4.77
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.56
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-N-prop-2-enylpyridine-2,4-dicarboxamide
CID 109079135
N-[2-chloro-5-(trifluoromethyl)phenyl]-4-(furan-2-ylmethylamino)pyridine-2-carboxamide
CID 109209570
2-anilino-N-[2-chloro-5-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109313456
N-(5-bromo-2-chlorophenyl)-3-(trifluoromethyl)benzamide
CID 62909273
3-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 66464004
N-[2-chloro-5-(trifluoromethyl)phenyl]-6-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109340340
6-bromo-N-[2-chloro-5-(trifluoromethyl)phenyl]-4-oxochromene-2-carboxamide
CID 35181492
1-(4-bromophenyl)-3-[2-chloro-5-(trifluoromethyl)phenyl]urea
CID 17300332
5-bromo-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-propoxybenzamide
CID 54787114
N-[2-chloro-5-(trifluoromethyl)phenyl]-5-(2-methylpropylamino)pyridine-2-carboxamide
CID 109181346
N-(4-bromo-2-pyridinyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 102674347
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 109300470

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-chloro-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
The IUPAC name of 4-bromo-N-[2-chloro-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide (CID 132587573) is 4-bromo-N-[2-chloro-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-bromo-N-[2-chloro-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
The canonical SMILES for 4-bromo-N-[2-chloro-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide is O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1cc(Br)ccn1.
What is the InChIKey of 4-bromo-N-[2-chloro-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
The InChIKey is MCBKACPKBMJMCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrClF3N2O/c14-8-3-4-19-11(6-8)12(21)20-10-5-7(13(16,17)18)1-2-9(10)15/h1-6H,(H,20,21).
What are the key properties of 4-bromo-N-[2-chloro-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
4-bromo-N-[2-chloro-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide has a molecular weight of 379.56 g/mol, XLogP of 4.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-chloro-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 132587573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).