2-N-[4-bromo-2-(trifluoromethoxy)phenyl]-6-methylpyridine-2,3-diamine

C13H11BrF3N3O — CID 103192737

IUPAC2-N-[4-bromo-2-(trifluoromethoxy)phenyl]-6-methylpyridine-2,3-diamine
SMILESCc1ccc(N)c(Nc2ccc(Br)cc2OC(F)(F)F)n1
InChIInChI=1S/C13H11BrF3N3O/c1-7-2-4-9(18)12(19-7)20-10-5-3-8(14)6-11(10)21-13(15,16)17/h2-6H,18H2,1H3,(H,19,20)
InChIKeyCPRGVPPCPZKNQZ-UHFFFAOYSA-N
MW362.15 g/mol
LogP4.38
Rot. Bonds3

About 2-N-[4-bromo-2-(trifluoromethoxy)phenyl]-6-methylpyridine-2,3-diamine

2-N-[4-bromo-2-(trifluoromethoxy)phenyl]-6-methylpyridine-2,3-diamine (PubChem CID 103192737) has the molecular formula C13H11BrF3N3O and a molecular weight of 362.15 g/mol. Its IUPAC name is 2-N-[4-bromo-2-(trifluoromethoxy)phenyl]-6-methylpyridine-2,3-diamine.

Molecular Properties

Compound Name2-N-[4-bromo-2-(trifluoromethoxy)phenyl]-6-methylpyridine-2,3-diamine
PubChem CID103192737
Molecular FormulaC13H11BrF3N3O
Molecular Weight362.15 g/mol
Exact Mass361.00
IUPAC Name2-N-[4-bromo-2-(trifluoromethoxy)phenyl]-6-methylpyridine-2,3-diamine
SMILESCc1ccc(N)c(Nc2ccc(Br)cc2OC(F)(F)F)n1
InChIInChI=1S/C13H11BrF3N3O/c1-7-2-4-9(18)12(19-7)20-10-5-3-8(14)6-11(10)21-13(15,16)17/h2-6H,18H2,1H3,(H,19,20)
InChIKeyCPRGVPPCPZKNQZ-UHFFFAOYSA-N
XLogP4.38
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.15
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-N-[4-bromo-2-(trifluoromethoxy)phenyl]-6-methylpyridine-2,3-diamine 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

2-N-[4-bromo-2-(trifluoromethoxy)phenyl]-4-methylbenzene-1,2-diamine
CID 103192731
4-N-[4-bromo-2-(trifluoromethoxy)phenyl]-5-methylpyrimidine-2,4-diamine
CID 103193719
4-N-[4-bromo-2-(trifluoromethoxy)phenyl]-6-methylpyrimidine-2,4-diamine
CID 103193728
1-N-[4-bromo-2-(trifluoromethoxy)phenyl]-4-methylbenzene-1,2-diamine
CID 103192723
2-[(3-amino-6-methyl-2-pyridinyl)amino]-5-bromobenzonitrile
CID 82702336
N-[4-bromo-2-(trifluoromethoxy)phenyl]-1-ethyl-4-methylimidazol-2-amine
CID 106583303
3-bromo-N-[4-bromo-2-(trifluoromethoxy)phenyl]pyridin-2-amine
CID 103193591
N-[4-bromo-2-(trifluoromethoxy)phenyl]-4,6-dichloro-1,3,5-triazin-2-amine
CID 103193533
5-bromo-N-[4-bromo-2-(trifluoromethoxy)phenyl]pyridin-2-amine
CID 103193595
2-N-(2-bromo-4-chlorophenyl)-6-methylpyridine-2,3-diamine
CID 81263123
4-N-[4-bromo-2-(trifluoromethoxy)phenyl]-6-N-methylpyrimidine-4,6-diamine
CID 103193720
N-[4-bromo-2-(trifluoromethoxy)phenyl]-4,5-dihydro-1H-imidazol-2-amine
CID 103193106

Frequently Asked Questions

What is the IUPAC name of 2-N-[4-bromo-2-(trifluoromethoxy)phenyl]-6-methylpyridine-2,3-diamine?
The IUPAC name of 2-N-[4-bromo-2-(trifluoromethoxy)phenyl]-6-methylpyridine-2,3-diamine (CID 103192737) is 2-N-[4-bromo-2-(trifluoromethoxy)phenyl]-6-methylpyridine-2,3-diamine.
What is the SMILES notation for 2-N-[4-bromo-2-(trifluoromethoxy)phenyl]-6-methylpyridine-2,3-diamine?
The canonical SMILES for 2-N-[4-bromo-2-(trifluoromethoxy)phenyl]-6-methylpyridine-2,3-diamine is Cc1ccc(N)c(Nc2ccc(Br)cc2OC(F)(F)F)n1.
What is the InChIKey of 2-N-[4-bromo-2-(trifluoromethoxy)phenyl]-6-methylpyridine-2,3-diamine?
The InChIKey is CPRGVPPCPZKNQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrF3N3O/c1-7-2-4-9(18)12(19-7)20-10-5-3-8(14)6-11(10)21-13(15,16)17/h2-6H,18H2,1H3,(H,19,20).
What are the key properties of 2-N-[4-bromo-2-(trifluoromethoxy)phenyl]-6-methylpyridine-2,3-diamine?
2-N-[4-bromo-2-(trifluoromethoxy)phenyl]-6-methylpyridine-2,3-diamine has a molecular weight of 362.15 g/mol, XLogP of 4.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[4-bromo-2-(trifluoromethoxy)phenyl]-6-methylpyridine-2,3-diamine is sourced from PubChem (CID 103192737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).