3-bromo-5-methyl-N-[3-(trifluoromethoxy)phenyl]pyridin-2-amine

C13H10BrF3N2O — CID 105367581

IUPAC3-bromo-5-methyl-N-[3-(trifluoromethoxy)phenyl]pyridin-2-amine
SMILESCc1cnc(Nc2cccc(OC(F)(F)F)c2)c(Br)c1
InChIInChI=1S/C13H10BrF3N2O/c1-8-5-11(14)12(18-7-8)19-9-3-2-4-10(6-9)20-13(15,16)17/h2-7H,1H3,(H,18,19)
InChIKeyOPVJYWKOIGOSMP-UHFFFAOYSA-N
MW347.13 g/mol
LogP4.79
Rot. Bonds3

About 3-bromo-5-methyl-N-[3-(trifluoromethoxy)phenyl]pyridin-2-amine

3-bromo-5-methyl-N-[3-(trifluoromethoxy)phenyl]pyridin-2-amine (PubChem CID 105367581) has the molecular formula C13H10BrF3N2O and a molecular weight of 347.13 g/mol. Its IUPAC name is 3-bromo-5-methyl-N-[3-(trifluoromethoxy)phenyl]pyridin-2-amine.

Molecular Properties

Compound Name3-bromo-5-methyl-N-[3-(trifluoromethoxy)phenyl]pyridin-2-amine
PubChem CID105367581
Molecular FormulaC13H10BrF3N2O
Molecular Weight347.13 g/mol
Exact Mass345.99
IUPAC Name3-bromo-5-methyl-N-[3-(trifluoromethoxy)phenyl]pyridin-2-amine
SMILESCc1cnc(Nc2cccc(OC(F)(F)F)c2)c(Br)c1
InChIInChI=1S/C13H10BrF3N2O/c1-8-5-11(14)12(18-7-8)19-9-3-2-4-10(6-9)20-13(15,16)17/h2-7H,1H3,(H,18,19)
InChIKeyOPVJYWKOIGOSMP-UHFFFAOYSA-N
XLogP4.79
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.13
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-bromo-5-methyl-N-[3-(trifluoromethoxy)phenyl]pyridin-2-amine 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

3-bromo-N-[3-(trifluoromethoxy)phenyl]pyridin-2-amine
CID 63462667
N-[3-(2-aminoethoxy)phenyl]-3-bromo-5-methylpyridin-2-amine
CID 105367304
5-bromo-2-N-methyl-4-N-[3-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine
CID 80728679
3-bromo-N-(3-ethylphenyl)-5-methylpyridin-2-amine
CID 105367623
2-N,5-dimethyl-4-N-[3-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine
CID 80728582
N-[3-[(3-bromo-5-methyl-2-pyridinyl)amino]phenyl]acetamide
CID 105367745
6-chloro-5-methyl-N-[3-(trifluoromethoxy)phenyl]pyrimidin-4-amine
CID 63736450
4-N-[3-(trifluoromethoxy)phenyl]pyrimidine-4,5-diamine
CID 79915945
2-methyl-4-N-[3-(trifluoromethoxy)phenyl]benzene-1,4-diamine
CID 43436320
2-N-[3-(trifluoromethoxy)phenyl]pyridine-2,3-diamine
CID 29067513
6-N,2-dimethyl-4-N-[3-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine
CID 80729894
3-bromo-2-N-(3-ethoxyphenyl)pyridine-2,5-diamine
CID 79532623

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-methyl-N-[3-(trifluoromethoxy)phenyl]pyridin-2-amine?
The IUPAC name of 3-bromo-5-methyl-N-[3-(trifluoromethoxy)phenyl]pyridin-2-amine (CID 105367581) is 3-bromo-5-methyl-N-[3-(trifluoromethoxy)phenyl]pyridin-2-amine.
What is the SMILES notation for 3-bromo-5-methyl-N-[3-(trifluoromethoxy)phenyl]pyridin-2-amine?
The canonical SMILES for 3-bromo-5-methyl-N-[3-(trifluoromethoxy)phenyl]pyridin-2-amine is Cc1cnc(Nc2cccc(OC(F)(F)F)c2)c(Br)c1.
What is the InChIKey of 3-bromo-5-methyl-N-[3-(trifluoromethoxy)phenyl]pyridin-2-amine?
The InChIKey is OPVJYWKOIGOSMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrF3N2O/c1-8-5-11(14)12(18-7-8)19-9-3-2-4-10(6-9)20-13(15,16)17/h2-7H,1H3,(H,18,19).
What are the key properties of 3-bromo-5-methyl-N-[3-(trifluoromethoxy)phenyl]pyridin-2-amine?
3-bromo-5-methyl-N-[3-(trifluoromethoxy)phenyl]pyridin-2-amine has a molecular weight of 347.13 g/mol, XLogP of 4.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-methyl-N-[3-(trifluoromethoxy)phenyl]pyridin-2-amine is sourced from PubChem (CID 105367581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).