5-N-(2,6-difluoro-3-methylphenyl)pyridine-3,5-diamine

C12H11F2N3 — CID 104535596

IUPAC5-N-(2,6-difluoro-3-methylphenyl)pyridine-3,5-diamine
SMILESCc1ccc(F)c(Nc2cncc(N)c2)c1F
InChIInChI=1S/C12H11F2N3/c1-7-2-3-10(13)12(11(7)14)17-9-4-8(15)5-16-6-9/h2-6,17H,15H2,1H3
InChIKeyWGMCNCJJIRJAMQ-UHFFFAOYSA-N
MW235.24 g/mol
LogP2.99
Rot. Bonds2

About 5-N-(2,6-difluoro-3-methylphenyl)pyridine-3,5-diamine

5-N-(2,6-difluoro-3-methylphenyl)pyridine-3,5-diamine (PubChem CID 104535596) has the molecular formula C12H11F2N3 and a molecular weight of 235.24 g/mol. Its IUPAC name is 5-N-(2,6-difluoro-3-methylphenyl)pyridine-3,5-diamine.

Molecular Properties

Compound Name5-N-(2,6-difluoro-3-methylphenyl)pyridine-3,5-diamine
PubChem CID104535596
Molecular FormulaC12H11F2N3
Molecular Weight235.24 g/mol
Exact Mass235.09
IUPAC Name5-N-(2,6-difluoro-3-methylphenyl)pyridine-3,5-diamine
SMILESCc1ccc(F)c(Nc2cncc(N)c2)c1F
InChIInChI=1S/C12H11F2N3/c1-7-2-3-10(13)12(11(7)14)17-9-4-8(15)5-16-6-9/h2-6,17H,15H2,1H3
InChIKeyWGMCNCJJIRJAMQ-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

5-N-(2,6-difluoro-3-methylphenyl)-3-N-methylpyridine-3,5-diamine
CID 104535597
4-N-(2,6-difluoro-3-methylphenyl)benzene-1,4-diamine
CID 82816183
5-N-(2,3,5-trifluorophenyl)pyridine-3,5-diamine
CID 113423984
5-N-(2,4-difluorophenyl)pyridine-3,5-diamine
CID 104532376
5-N-[1-(3-fluoro-4-methylphenyl)ethyl]pyridine-3,5-diamine
CID 113424172
2-chloro-1-N-(2,6-difluoro-3-methylphenyl)benzene-1,4-diamine
CID 82815883
4-N-(2,6-difluoro-3-methylphenyl)-2-(trifluoromethyl)benzene-1,4-diamine
CID 82799662
5-chloro-2-N-(2,6-difluoro-3-methylphenyl)pyridine-2,3-diamine
CID 82815662
5-(2,6-difluoro-3-methylanilino)pyridine-2-carbothioamide
CID 82818596
4-N-(2,6-difluoro-3-methylphenyl)-2-propan-2-yloxybenzene-1,4-diamine
CID 83005350
N-(2,6-difluoro-3-methylphenyl)-2,3,5,6-tetrafluoropyridin-4-amine
CID 82820207
5-(2,6-difluoro-3-methylanilino)pyridine-2-carbonitrile
CID 82818919

Frequently Asked Questions

What is the IUPAC name of 5-N-(2,6-difluoro-3-methylphenyl)pyridine-3,5-diamine?
The IUPAC name of 5-N-(2,6-difluoro-3-methylphenyl)pyridine-3,5-diamine (CID 104535596) is 5-N-(2,6-difluoro-3-methylphenyl)pyridine-3,5-diamine.
What is the SMILES notation for 5-N-(2,6-difluoro-3-methylphenyl)pyridine-3,5-diamine?
The canonical SMILES for 5-N-(2,6-difluoro-3-methylphenyl)pyridine-3,5-diamine is Cc1ccc(F)c(Nc2cncc(N)c2)c1F.
What is the InChIKey of 5-N-(2,6-difluoro-3-methylphenyl)pyridine-3,5-diamine?
The InChIKey is WGMCNCJJIRJAMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2N3/c1-7-2-3-10(13)12(11(7)14)17-9-4-8(15)5-16-6-9/h2-6,17H,15H2,1H3.
What are the key properties of 5-N-(2,6-difluoro-3-methylphenyl)pyridine-3,5-diamine?
5-N-(2,6-difluoro-3-methylphenyl)pyridine-3,5-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 5-N-(2,6-difluoro-3-methylphenyl)pyridine-3,5-diamine is sourced from PubChem (CID 104535596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).