3-bromo-2-N-(2-fluoro-5-methylphenyl)-4-methylpyridine-2,5-diamine

C13H13BrFN3 — CID 104506356

IUPAC3-bromo-2-N-(2-fluoro-5-methylphenyl)-4-methylpyridine-2,5-diamine
SMILESCc1ccc(F)c(Nc2ncc(N)c(C)c2Br)c1
InChIInChI=1S/C13H13BrFN3/c1-7-3-4-9(15)11(5-7)18-13-12(14)8(2)10(16)6-17-13/h3-6H,16H2,1-2H3,(H,17,18)
InChIKeyJTCPYYIUJYMWCX-UHFFFAOYSA-N
MW310.17 g/mol
LogP3.93
Rot. Bonds2

About 3-bromo-2-N-(2-fluoro-5-methylphenyl)-4-methylpyridine-2,5-diamine

3-bromo-2-N-(2-fluoro-5-methylphenyl)-4-methylpyridine-2,5-diamine (PubChem CID 104506356) has the molecular formula C13H13BrFN3 and a molecular weight of 310.17 g/mol. Its IUPAC name is 3-bromo-2-N-(2-fluoro-5-methylphenyl)-4-methylpyridine-2,5-diamine.

Molecular Properties

Compound Name3-bromo-2-N-(2-fluoro-5-methylphenyl)-4-methylpyridine-2,5-diamine
PubChem CID104506356
Molecular FormulaC13H13BrFN3
Molecular Weight310.17 g/mol
Exact Mass309.03
IUPAC Name3-bromo-2-N-(2-fluoro-5-methylphenyl)-4-methylpyridine-2,5-diamine
SMILESCc1ccc(F)c(Nc2ncc(N)c(C)c2Br)c1
InChIInChI=1S/C13H13BrFN3/c1-7-3-4-9(15)11(5-7)18-13-12(14)8(2)10(16)6-17-13/h3-6H,16H2,1-2H3,(H,17,18)
InChIKeyJTCPYYIUJYMWCX-UHFFFAOYSA-N
XLogP3.93
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.17
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-bromo-2-N-(2-fluoro-5-methylphenyl)-4-methylpyridine-2,5-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

3-bromo-2-N-(2,5-dibromophenyl)-4-methylpyridine-2,5-diamine
CID 113420421
3-bromo-2-N-(4-fluoro-2-methoxyphenyl)-4-methylpyridine-2,5-diamine
CID 104506600
4-N-(2-fluoro-5-methylphenyl)-5-methylpyrimidine-2,4-diamine
CID 80755372
3-bromo-2-N-(2-chlorophenyl)-4-methylpyridine-2,5-diamine
CID 104506339
3-bromo-4-methyl-2-N-(2-propan-2-ylphenyl)pyridine-2,5-diamine
CID 104506309
3,5-difluoro-6-N-(2-fluoro-5-methylphenyl)pyridine-2,6-diamine
CID 114073968
3-bromo-2-N-(4-iodophenyl)-4-methylpyridine-2,5-diamine
CID 104506329
N-(2-bromo-5-methylphenyl)-5-chloro-3-fluoropyridin-2-amine
CID 82766697
3-bromo-2-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-methylpyridine-2,5-diamine
CID 104506322
3-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]-4-chlorobenzonitrile
CID 104507044
3-bromo-2-N-[3-(dimethylamino)-4-methylphenyl]-4-methylpyridine-2,5-diamine
CID 104507078
5-bromo-2-N-(2,5-dimethylphenyl)pyridine-2,3-diamine
CID 61228858

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-N-(2-fluoro-5-methylphenyl)-4-methylpyridine-2,5-diamine?
The IUPAC name of 3-bromo-2-N-(2-fluoro-5-methylphenyl)-4-methylpyridine-2,5-diamine (CID 104506356) is 3-bromo-2-N-(2-fluoro-5-methylphenyl)-4-methylpyridine-2,5-diamine.
What is the SMILES notation for 3-bromo-2-N-(2-fluoro-5-methylphenyl)-4-methylpyridine-2,5-diamine?
The canonical SMILES for 3-bromo-2-N-(2-fluoro-5-methylphenyl)-4-methylpyridine-2,5-diamine is Cc1ccc(F)c(Nc2ncc(N)c(C)c2Br)c1.
What is the InChIKey of 3-bromo-2-N-(2-fluoro-5-methylphenyl)-4-methylpyridine-2,5-diamine?
The InChIKey is JTCPYYIUJYMWCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrFN3/c1-7-3-4-9(15)11(5-7)18-13-12(14)8(2)10(16)6-17-13/h3-6H,16H2,1-2H3,(H,17,18).
What are the key properties of 3-bromo-2-N-(2-fluoro-5-methylphenyl)-4-methylpyridine-2,5-diamine?
3-bromo-2-N-(2-fluoro-5-methylphenyl)-4-methylpyridine-2,5-diamine has a molecular weight of 310.17 g/mol, XLogP of 3.93, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-N-(2-fluoro-5-methylphenyl)-4-methylpyridine-2,5-diamine is sourced from PubChem (CID 104506356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).