3-N-(2,6-difluoro-3-methylphenyl)pyridine-2,3-diamine

C12H11F2N3 — CID 113424874

IUPAC3-N-(2,6-difluoro-3-methylphenyl)pyridine-2,3-diamine
SMILESCc1ccc(F)c(Nc2cccnc2N)c1F
InChIInChI=1S/C12H11F2N3/c1-7-4-5-8(13)11(10(7)14)17-9-3-2-6-16-12(9)15/h2-6,17H,1H3,(H2,15,16)
InChIKeyHRRNBFYYXSJYBG-UHFFFAOYSA-N
MW235.24 g/mol
LogP2.99
Rot. Bonds2

About 3-N-(2,6-difluoro-3-methylphenyl)pyridine-2,3-diamine

3-N-(2,6-difluoro-3-methylphenyl)pyridine-2,3-diamine (PubChem CID 113424874) has the molecular formula C12H11F2N3 and a molecular weight of 235.24 g/mol. Its IUPAC name is 3-N-(2,6-difluoro-3-methylphenyl)pyridine-2,3-diamine.

Molecular Properties

Compound Name3-N-(2,6-difluoro-3-methylphenyl)pyridine-2,3-diamine
PubChem CID113424874
Molecular FormulaC12H11F2N3
Molecular Weight235.24 g/mol
Exact Mass235.09
IUPAC Name3-N-(2,6-difluoro-3-methylphenyl)pyridine-2,3-diamine
SMILESCc1ccc(F)c(Nc2cccnc2N)c1F
InChIInChI=1S/C12H11F2N3/c1-7-4-5-8(13)11(10(7)14)17-9-3-2-6-16-12(9)15/h2-6,17H,1H3,(H2,15,16)
InChIKeyHRRNBFYYXSJYBG-UHFFFAOYSA-N
XLogP2.99
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-(2,6-difluoro-3-methylphenyl)pyridine-2,3-diamine
CID 82816630
3-N-(2-fluoro-5-methylphenyl)pyridine-2,3-diamine
CID 104539866
3-N-(5-bromo-4-fluoro-2-methylphenyl)pyridine-2,3-diamine
CID 107591065
2-chloro-1-N-(2,6-difluoro-3-methylphenyl)benzene-1,4-diamine
CID 82815883
4-N-(2,6-difluoro-3-methylphenyl)benzene-1,4-diamine
CID 82816183
3-N-(5-bromo-2,4-difluorophenyl)pyridine-2,3-diamine
CID 102852542
N-(2,6-difluoro-3-methylphenyl)-2,3,5,6-tetrafluoropyridin-4-amine
CID 82820207
5-chloro-2-N-(2,6-difluoro-3-methylphenyl)pyridine-2,3-diamine
CID 82815662
8-N-(5-chloro-2-methylphenyl)-7-fluoroquinoline-5,8-diamine
CID 83163913
5-amino-2-(2,6-difluoro-3-methylanilino)benzonitrile
CID 82815807
5-N-(2,6-difluoro-3-methylphenyl)pyridine-3,5-diamine
CID 104535596
3-N-(2-bromo-5-fluorophenyl)pyridine-2,3-diamine
CID 107634583

Frequently Asked Questions

What is the IUPAC name of 3-N-(2,6-difluoro-3-methylphenyl)pyridine-2,3-diamine?
The IUPAC name of 3-N-(2,6-difluoro-3-methylphenyl)pyridine-2,3-diamine (CID 113424874) is 3-N-(2,6-difluoro-3-methylphenyl)pyridine-2,3-diamine.
What is the SMILES notation for 3-N-(2,6-difluoro-3-methylphenyl)pyridine-2,3-diamine?
The canonical SMILES for 3-N-(2,6-difluoro-3-methylphenyl)pyridine-2,3-diamine is Cc1ccc(F)c(Nc2cccnc2N)c1F.
What is the InChIKey of 3-N-(2,6-difluoro-3-methylphenyl)pyridine-2,3-diamine?
The InChIKey is HRRNBFYYXSJYBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2N3/c1-7-4-5-8(13)11(10(7)14)17-9-3-2-6-16-12(9)15/h2-6,17H,1H3,(H2,15,16).
What are the key properties of 3-N-(2,6-difluoro-3-methylphenyl)pyridine-2,3-diamine?
3-N-(2,6-difluoro-3-methylphenyl)pyridine-2,3-diamine has a molecular weight of 235.24 g/mol, XLogP of 2.99, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2,6-difluoro-3-methylphenyl)pyridine-2,3-diamine is sourced from PubChem (CID 113424874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).