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

C13H13F2N3 — CID 104535597

IUPAC5-N-(2,6-difluoro-3-methylphenyl)-3-N-methylpyridine-3,5-diamine
SMILESCNc1cncc(Nc2c(F)ccc(C)c2F)c1
InChIInChI=1S/C13H13F2N3/c1-8-3-4-11(14)13(12(8)15)18-10-5-9(16-2)6-17-7-10/h3-7,16,18H,1-2H3
InChIKeyNTJAFGJQMGERBW-UHFFFAOYSA-N
MW249.26 g/mol
LogP3.45
Rot. Bonds3

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

5-N-(2,6-difluoro-3-methylphenyl)-3-N-methylpyridine-3,5-diamine (PubChem CID 104535597) has the molecular formula C13H13F2N3 and a molecular weight of 249.26 g/mol. Its IUPAC name is 5-N-(2,6-difluoro-3-methylphenyl)-3-N-methylpyridine-3,5-diamine.

Molecular Properties

Compound Name5-N-(2,6-difluoro-3-methylphenyl)-3-N-methylpyridine-3,5-diamine
PubChem CID104535597
Molecular FormulaC13H13F2N3
Molecular Weight249.26 g/mol
Exact Mass249.11
IUPAC Name5-N-(2,6-difluoro-3-methylphenyl)-3-N-methylpyridine-3,5-diamine
SMILESCNc1cncc(Nc2c(F)ccc(C)c2F)c1
InChIInChI=1S/C13H13F2N3/c1-8-3-4-11(14)13(12(8)15)18-10-5-9(16-2)6-17-7-10/h3-7,16,18H,1-2H3
InChIKeyNTJAFGJQMGERBW-UHFFFAOYSA-N
XLogP3.45
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.26
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-N-(2,6-difluoro-3-methylphenyl)pyridine-3,5-diamine
CID 104535596
5-N-(3-fluoro-2-methylphenyl)-3-N-methylpyridine-3,5-diamine
CID 104533871
4-N-(2,6-difluoro-3-methylphenyl)benzene-1,4-diamine
CID 82816183
5-N-(2,4-dimethylphenyl)-3-N-methylpyridine-3,5-diamine
CID 104532337
4-(2,6-difluoro-3-methylanilino)pyridine-2-carbonitrile
CID 82818029
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
5-(2,6-difluoro-3-methylanilino)pyridine-2-carboxylic acid
CID 104638966
5-N-[(4-fluoro-3,5-dimethylphenyl)methyl]-3-N-methylpyridine-3,5-diamine
CID 104535355
5-N-(2-bromo-5-chlorophenyl)-3-N-methylpyridine-3,5-diamine
CID 104535476
5-N-(2-chloro-5-fluorophenyl)-3-N-methylpyridine-3,5-diamine
CID 107531788
5-N-(2-bromophenyl)-3-N-methylpyridine-3,5-diamine
CID 104532356

Frequently Asked Questions

What is the IUPAC name of 5-N-(2,6-difluoro-3-methylphenyl)-3-N-methylpyridine-3,5-diamine?
The IUPAC name of 5-N-(2,6-difluoro-3-methylphenyl)-3-N-methylpyridine-3,5-diamine (CID 104535597) is 5-N-(2,6-difluoro-3-methylphenyl)-3-N-methylpyridine-3,5-diamine.
What is the SMILES notation for 5-N-(2,6-difluoro-3-methylphenyl)-3-N-methylpyridine-3,5-diamine?
The canonical SMILES for 5-N-(2,6-difluoro-3-methylphenyl)-3-N-methylpyridine-3,5-diamine is CNc1cncc(Nc2c(F)ccc(C)c2F)c1.
What is the InChIKey of 5-N-(2,6-difluoro-3-methylphenyl)-3-N-methylpyridine-3,5-diamine?
The InChIKey is NTJAFGJQMGERBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2N3/c1-8-3-4-11(14)13(12(8)15)18-10-5-9(16-2)6-17-7-10/h3-7,16,18H,1-2H3.
What are the key properties of 5-N-(2,6-difluoro-3-methylphenyl)-3-N-methylpyridine-3,5-diamine?
5-N-(2,6-difluoro-3-methylphenyl)-3-N-methylpyridine-3,5-diamine has a molecular weight of 249.26 g/mol, XLogP of 3.45, 3 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)-3-N-methylpyridine-3,5-diamine is sourced from PubChem (CID 104535597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).