2-amino-5-bromo-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide

C13H9BrF3N3O — CID 62151819

IUPAC2-amino-5-bromo-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESNc1ncc(Br)cc1C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H9BrF3N3O/c14-8-5-10(11(18)19-6-8)12(21)20-9-3-1-7(2-4-9)13(15,16)17/h1-6H,(H2,18,19)(H,20,21)
InChIKeyZRPYGQDLFZCQCB-UHFFFAOYSA-N
MW360.13 g/mol
LogP3.70
Rot. Bonds2

About 2-amino-5-bromo-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide

2-amino-5-bromo-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide (PubChem CID 62151819) has the molecular formula C13H9BrF3N3O and a molecular weight of 360.13 g/mol. Its IUPAC name is 2-amino-5-bromo-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-5-bromo-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
PubChem CID62151819
Molecular FormulaC13H9BrF3N3O
Molecular Weight360.13 g/mol
Exact Mass358.99
IUPAC Name2-amino-5-bromo-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESNc1ncc(Br)cc1C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H9BrF3N3O/c14-8-5-10(11(18)19-6-8)12(21)20-9-3-1-7(2-4-9)13(15,16)17/h1-6H,(H2,18,19)(H,20,21)
InChIKeyZRPYGQDLFZCQCB-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

2-amino-5-bromo-N-(4-bromo-3-fluorophenyl)pyridine-3-carboxamide
CID 65437608
2-amino-5-bromo-N'-(4-tert-butylbenzoyl)pyridine-3-carbohydrazide
CID 118110256
5-bromo-2-[4-(trifluoromethyl)anilino]pyridine-3-carboxylic acid
CID 63537127
2-amino-5-bromo-N-(2,4-dibromophenyl)pyridine-3-carboxamide
CID 62187349
5-bromo-N-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran-7-carboxamide
CID 2821775
2-chloro-5-fluoro-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 87757105
2-amino-5-bromo-N-(4,6-dimethylpyrimidin-2-yl)pyridine-3-carboxamide
CID 62153366
2-amino-5-bromo-N-(2-bromo-4-chlorophenyl)pyridine-3-carboxamide
CID 81275368
4-amino-N-[4-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenyl]thieno[2,3-d]pyrimidine-5-carboxamide
CID 69159899
2-amino-5-bromo-N-(3,3-dimethylbutan-2-yl)pyridine-3-carboxamide
CID 113458035
2-amino-5-bromo-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 62151599
2-amino-5-bromo-N-(thiadiazol-5-yl)pyridine-3-carboxamide
CID 114914151

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 2-amino-5-bromo-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide (CID 62151819) is 2-amino-5-bromo-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-5-bromo-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 2-amino-5-bromo-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide is Nc1ncc(Br)cc1C(=O)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-amino-5-bromo-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The InChIKey is ZRPYGQDLFZCQCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrF3N3O/c14-8-5-10(11(18)19-6-8)12(21)20-9-3-1-7(2-4-9)13(15,16)17/h1-6H,(H2,18,19)(H,20,21).
What are the key properties of 2-amino-5-bromo-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
2-amino-5-bromo-N-[4-(trifluoromethyl)phenyl]pyridine-3-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 2-amino-5-bromo-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 62151819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).