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

C12H11BrFN3 — CID 107591065

IUPAC3-N-(5-bromo-4-fluoro-2-methylphenyl)pyridine-2,3-diamine
SMILESCc1cc(F)c(Br)cc1Nc1cccnc1N
InChIInChI=1S/C12H11BrFN3/c1-7-5-9(14)8(13)6-11(7)17-10-3-2-4-16-12(10)15/h2-6,17H,1H3,(H2,15,16)
InChIKeyGMKGUPNNSDKADM-UHFFFAOYSA-N
MW296.14 g/mol
LogP3.62
Rot. Bonds2

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

3-N-(5-bromo-4-fluoro-2-methylphenyl)pyridine-2,3-diamine (PubChem CID 107591065) has the molecular formula C12H11BrFN3 and a molecular weight of 296.14 g/mol. Its IUPAC name is 3-N-(5-bromo-4-fluoro-2-methylphenyl)pyridine-2,3-diamine.

Molecular Properties

Compound Name3-N-(5-bromo-4-fluoro-2-methylphenyl)pyridine-2,3-diamine
PubChem CID107591065
Molecular FormulaC12H11BrFN3
Molecular Weight296.14 g/mol
Exact Mass295.01
IUPAC Name3-N-(5-bromo-4-fluoro-2-methylphenyl)pyridine-2,3-diamine
SMILESCc1cc(F)c(Br)cc1Nc1cccnc1N
InChIInChI=1S/C12H11BrFN3/c1-7-5-9(14)8(13)6-11(7)17-10-3-2-4-16-12(10)15/h2-6,17H,1H3,(H2,15,16)
InChIKeyGMKGUPNNSDKADM-UHFFFAOYSA-N
XLogP3.62
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.14
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-(5-bromo-2,4-difluorophenyl)pyridine-2,3-diamine
CID 102852542
3-N-(2-bromo-5-fluorophenyl)pyridine-2,3-diamine
CID 107634583
3-N-(2-fluoro-5-methylphenyl)pyridine-2,3-diamine
CID 104539866
2-N-(5-bromo-4-fluoro-2-methylphenyl)pyrimidine-2,5-diamine
CID 107590931
3-N-(2,6-difluoro-3-methylphenyl)pyridine-2,3-diamine
CID 113424874
4-bromo-2-N-(4-bromo-5-fluoro-2-methylphenyl)-5-fluorobenzene-1,2-diamine
CID 116736340
4-N-(5-bromo-4-fluoro-2-methylphenyl)-6-hydrazinylpyrimidine-2,4-diamine
CID 107594483
2-N-(5-bromo-4-fluoro-2-methylphenyl)-6-chloropyridine-2,3-diamine
CID 107591031
4-amino-3-(5-bromo-4-fluoro-2-methylanilino)benzenesulfonamide
CID 107590941
1-N-(5-bromo-4-fluoro-2-methylphenyl)-2-(trifluoromethyl)benzene-1,4-diamine
CID 107590972
4-(5-bromo-4-fluoro-2-methylanilino)pyridine-2-carbothioamide
CID 107592479
N-(4-bromo-5-fluoro-2-methylphenyl)-3-(methylamino)pyridine-2-sulfonamide
CID 103307734

Frequently Asked Questions

What is the IUPAC name of 3-N-(5-bromo-4-fluoro-2-methylphenyl)pyridine-2,3-diamine?
The IUPAC name of 3-N-(5-bromo-4-fluoro-2-methylphenyl)pyridine-2,3-diamine (CID 107591065) is 3-N-(5-bromo-4-fluoro-2-methylphenyl)pyridine-2,3-diamine.
What is the SMILES notation for 3-N-(5-bromo-4-fluoro-2-methylphenyl)pyridine-2,3-diamine?
The canonical SMILES for 3-N-(5-bromo-4-fluoro-2-methylphenyl)pyridine-2,3-diamine is Cc1cc(F)c(Br)cc1Nc1cccnc1N.
What is the InChIKey of 3-N-(5-bromo-4-fluoro-2-methylphenyl)pyridine-2,3-diamine?
The InChIKey is GMKGUPNNSDKADM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrFN3/c1-7-5-9(14)8(13)6-11(7)17-10-3-2-4-16-12(10)15/h2-6,17H,1H3,(H2,15,16).
What are the key properties of 3-N-(5-bromo-4-fluoro-2-methylphenyl)pyridine-2,3-diamine?
3-N-(5-bromo-4-fluoro-2-methylphenyl)pyridine-2,3-diamine has a molecular weight of 296.14 g/mol, XLogP of 3.62, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(5-bromo-4-fluoro-2-methylphenyl)pyridine-2,3-diamine is sourced from PubChem (CID 107591065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).