(2-amino-5-bromo-3-pyridinyl)-[2-(trifluoromethoxy)phenyl]methanone

C13H8BrF3N2O2 — CID 59700140

IUPAC(2-amino-5-bromo-3-pyridinyl)-[2-(trifluoromethoxy)phenyl]methanone
SMILESNc1ncc(Br)cc1C(=O)c1ccccc1OC(F)(F)F
InChIInChI=1S/C13H8BrF3N2O2/c14-7-5-9(12(18)19-6-7)11(20)8-3-1-2-4-10(8)21-13(15,16)17/h1-6H,(H2,18,19)
InChIKeyARPPNDMNABSSPW-UHFFFAOYSA-N
MW361.12 g/mol
LogP3.56
Rot. Bonds3

About (2-amino-5-bromo-3-pyridinyl)-[2-(trifluoromethoxy)phenyl]methanone

(2-amino-5-bromo-3-pyridinyl)-[2-(trifluoromethoxy)phenyl]methanone (PubChem CID 59700140) has the molecular formula C13H8BrF3N2O2 and a molecular weight of 361.12 g/mol. Its IUPAC name is (2-amino-5-bromo-3-pyridinyl)-[2-(trifluoromethoxy)phenyl]methanone.

Molecular Properties

Compound Name(2-amino-5-bromo-3-pyridinyl)-[2-(trifluoromethoxy)phenyl]methanone
PubChem CID59700140
Molecular FormulaC13H8BrF3N2O2
Molecular Weight361.12 g/mol
Exact Mass359.97
IUPAC Name(2-amino-5-bromo-3-pyridinyl)-[2-(trifluoromethoxy)phenyl]methanone
SMILESNc1ncc(Br)cc1C(=O)c1ccccc1OC(F)(F)F
InChIInChI=1S/C13H8BrF3N2O2/c14-7-5-9(12(18)19-6-7)11(20)8-3-1-2-4-10(8)21-13(15,16)17/h1-6H,(H2,18,19)
InChIKeyARPPNDMNABSSPW-UHFFFAOYSA-N
XLogP3.56
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.12
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2-amino-5-bromo-3-pyridinyl)-[2-(trifluoromethoxy)phenyl]methanone 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-2-methylphenyl)-[2-(trifluoromethoxy)phenyl]methanone
CID 114970316
(2-bromo-4-methylphenyl)-[2-(trifluoromethoxy)phenyl]methanone
CID 114970319
(2-methyl-3-pyridinyl)-[2-(trifluoromethoxy)phenyl]methanone
CID 105094746
pyridin-4-yl-[2-(trifluoromethoxy)phenyl]methanone
CID 62789914
pyridazin-4-yl-[2-(trifluoromethoxy)phenyl]methanone
CID 105094681
5-bromo-2-(trifluoromethoxy)benzamide
CID 155804273
2-(trifluoromethoxy)benzoate
CID 6933714
2-amino-5-bromo-N-(2,4,4-trimethylpentan-2-yl)pyridine-3-carboxamide
CID 55041629
2-amino-5-bromo-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 62152678
2-amino-2-phenyl-1-[2-(trifluoromethoxy)phenyl]ethanone
CID 116551144
[2-(aminomethyl)-1,3-thiazol-4-yl]-[2-(trifluoromethoxy)phenyl]methanone
CID 116585116
(4-fluoro-3-methoxyphenyl)-[2-(trifluoromethoxy)phenyl]methanone
CID 146008152

Frequently Asked Questions

What is the IUPAC name of (2-amino-5-bromo-3-pyridinyl)-[2-(trifluoromethoxy)phenyl]methanone?
The IUPAC name of (2-amino-5-bromo-3-pyridinyl)-[2-(trifluoromethoxy)phenyl]methanone (CID 59700140) is (2-amino-5-bromo-3-pyridinyl)-[2-(trifluoromethoxy)phenyl]methanone.
What is the SMILES notation for (2-amino-5-bromo-3-pyridinyl)-[2-(trifluoromethoxy)phenyl]methanone?
The canonical SMILES for (2-amino-5-bromo-3-pyridinyl)-[2-(trifluoromethoxy)phenyl]methanone is Nc1ncc(Br)cc1C(=O)c1ccccc1OC(F)(F)F.
What is the InChIKey of (2-amino-5-bromo-3-pyridinyl)-[2-(trifluoromethoxy)phenyl]methanone?
The InChIKey is ARPPNDMNABSSPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrF3N2O2/c14-7-5-9(12(18)19-6-7)11(20)8-3-1-2-4-10(8)21-13(15,16)17/h1-6H,(H2,18,19).
What are the key properties of (2-amino-5-bromo-3-pyridinyl)-[2-(trifluoromethoxy)phenyl]methanone?
(2-amino-5-bromo-3-pyridinyl)-[2-(trifluoromethoxy)phenyl]methanone has a molecular weight of 361.12 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-bromo-3-pyridinyl)-[2-(trifluoromethoxy)phenyl]methanone is sourced from PubChem (CID 59700140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).