6-amino-N-[4-bromo-3-(trifluoromethyl)phenyl]pyridine-2-carboxamide

C13H9BrF3N3O — CID 64854382

IUPAC6-amino-N-[4-bromo-3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
SMILESNc1cccc(C(=O)Nc2ccc(Br)c(C(F)(F)F)c2)n1
InChIInChI=1S/C13H9BrF3N3O/c14-9-5-4-7(6-8(9)13(15,16)17)19-12(21)10-2-1-3-11(18)20-10/h1-6H,(H2,18,20)(H,19,21)
InChIKeyZCZYUASITUBEQK-UHFFFAOYSA-N
MW360.13 g/mol
LogP3.70
Rot. Bonds2

About 6-amino-N-[4-bromo-3-(trifluoromethyl)phenyl]pyridine-2-carboxamide

6-amino-N-[4-bromo-3-(trifluoromethyl)phenyl]pyridine-2-carboxamide (PubChem CID 64854382) has the molecular formula C13H9BrF3N3O and a molecular weight of 360.13 g/mol. Its IUPAC name is 6-amino-N-[4-bromo-3-(trifluoromethyl)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-amino-N-[4-bromo-3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
PubChem CID64854382
Molecular FormulaC13H9BrF3N3O
Molecular Weight360.13 g/mol
Exact Mass358.99
IUPAC Name6-amino-N-[4-bromo-3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
SMILESNc1cccc(C(=O)Nc2ccc(Br)c(C(F)(F)F)c2)n1
InChIInChI=1S/C13H9BrF3N3O/c14-9-5-4-7(6-8(9)13(15,16)17)19-12(21)10-2-1-3-11(18)20-10/h1-6H,(H2,18,20)(H,19,21)
InChIKeyZCZYUASITUBEQK-UHFFFAOYSA-N
XLogP3.70
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.13
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-amino-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 62238899
3-amino-N-[4-bromo-3-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide
CID 64854925
N-[4-bromo-3-(trifluoromethyl)phenyl]-3-chlorobenzamide
CID 7920374
6-amino-N-[3-(trifluoromethoxy)phenyl]pyridine-2-carboxamide
CID 62239085
6-fluoro-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 115497606
6-amino-N-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxamide
CID 62239251
6-amino-N-(4-tert-butylphenyl)pyridine-2-carboxamide
CID 62239244
2-bromo-N-[4-bromo-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 103751889
N-[4-bromo-3-(trifluoromethyl)phenyl]-2-chlorofuran-3-carboxamide
CID 106685898
N-[4-bromo-3-(trifluoromethyl)phenyl]-4-fluorobenzamide
CID 1095073
N-[4-bromo-3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 8919733
N-[4-bromo-3-(trifluoromethyl)phenyl]-2-iodobenzamide
CID 60630150

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[4-bromo-3-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
The IUPAC name of 6-amino-N-[4-bromo-3-(trifluoromethyl)phenyl]pyridine-2-carboxamide (CID 64854382) is 6-amino-N-[4-bromo-3-(trifluoromethyl)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-amino-N-[4-bromo-3-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
The canonical SMILES for 6-amino-N-[4-bromo-3-(trifluoromethyl)phenyl]pyridine-2-carboxamide is Nc1cccc(C(=O)Nc2ccc(Br)c(C(F)(F)F)c2)n1.
What is the InChIKey of 6-amino-N-[4-bromo-3-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
The InChIKey is ZCZYUASITUBEQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrF3N3O/c14-9-5-4-7(6-8(9)13(15,16)17)19-12(21)10-2-1-3-11(18)20-10/h1-6H,(H2,18,20)(H,19,21).
What are the key properties of 6-amino-N-[4-bromo-3-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
6-amino-N-[4-bromo-3-(trifluoromethyl)phenyl]pyridine-2-carboxamide has a molecular weight of 360.13 g/mol, XLogP of 3.70, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[4-bromo-3-(trifluoromethyl)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 64854382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).