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

C13H14FN3 — CID 104533871

IUPAC5-N-(3-fluoro-2-methylphenyl)-3-N-methylpyridine-3,5-diamine
SMILESCNc1cncc(Nc2cccc(F)c2C)c1
InChIInChI=1S/C13H14FN3/c1-9-12(14)4-3-5-13(9)17-11-6-10(15-2)7-16-8-11/h3-8,15,17H,1-2H3
InChIKeyXLHZWVIKBZUBLD-UHFFFAOYSA-N
MW231.27 g/mol
LogP3.31
Rot. Bonds3

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

5-N-(3-fluoro-2-methylphenyl)-3-N-methylpyridine-3,5-diamine (PubChem CID 104533871) has the molecular formula C13H14FN3 and a molecular weight of 231.27 g/mol. Its IUPAC name is 5-N-(3-fluoro-2-methylphenyl)-3-N-methylpyridine-3,5-diamine.

Molecular Properties

Compound Name5-N-(3-fluoro-2-methylphenyl)-3-N-methylpyridine-3,5-diamine
PubChem CID104533871
Molecular FormulaC13H14FN3
Molecular Weight231.27 g/mol
Exact Mass231.12
IUPAC Name5-N-(3-fluoro-2-methylphenyl)-3-N-methylpyridine-3,5-diamine
SMILESCNc1cncc(Nc2cccc(F)c2C)c1
InChIInChI=1S/C13H14FN3/c1-9-12(14)4-3-5-13(9)17-11-6-10(15-2)7-16-8-11/h3-8,15,17H,1-2H3
InChIKeyXLHZWVIKBZUBLD-UHFFFAOYSA-N
XLogP3.31
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.27
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-N-(2-bromophenyl)-3-N-methylpyridine-3,5-diamine
CID 104532356
5-N-(2-ethylphenyl)-3-N-methylpyridine-3,5-diamine
CID 104532392
5-N-(2,6-difluoro-3-methylphenyl)-3-N-methylpyridine-3,5-diamine
CID 104535597
5-N-(2,4-dimethylphenyl)-3-N-methylpyridine-3,5-diamine
CID 104532337
5-N-(2-chloro-5-fluorophenyl)-3-N-methylpyridine-3,5-diamine
CID 107531788
5-(2,3-dimethylanilino)-N-(2-fluorophenyl)pyridine-3-carboxamide
CID 109243282
4-N-(2-fluorophenyl)-1-N-methylbenzene-1,4-diamine
CID 117027231
5-N-(3-chlorophenyl)-3-N-methylpyridine-3,5-diamine
CID 104532340
5-N-(3-bromo-2-methylphenyl)-3-N-ethylpyridine-3,5-diamine
CID 107638767
5-N-(2-bromo-5-chlorophenyl)-3-N-methylpyridine-3,5-diamine
CID 104535476
2-[[5-(ethylamino)-3-pyridinyl]amino]-6-fluorobenzonitrile
CID 104533044
2-fluoro-4-(3-fluoro-2-methylanilino)benzonitrile
CID 113295636

Frequently Asked Questions

What is the IUPAC name of 5-N-(3-fluoro-2-methylphenyl)-3-N-methylpyridine-3,5-diamine?
The IUPAC name of 5-N-(3-fluoro-2-methylphenyl)-3-N-methylpyridine-3,5-diamine (CID 104533871) is 5-N-(3-fluoro-2-methylphenyl)-3-N-methylpyridine-3,5-diamine.
What is the SMILES notation for 5-N-(3-fluoro-2-methylphenyl)-3-N-methylpyridine-3,5-diamine?
The canonical SMILES for 5-N-(3-fluoro-2-methylphenyl)-3-N-methylpyridine-3,5-diamine is CNc1cncc(Nc2cccc(F)c2C)c1.
What is the InChIKey of 5-N-(3-fluoro-2-methylphenyl)-3-N-methylpyridine-3,5-diamine?
The InChIKey is XLHZWVIKBZUBLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3/c1-9-12(14)4-3-5-13(9)17-11-6-10(15-2)7-16-8-11/h3-8,15,17H,1-2H3.
What are the key properties of 5-N-(3-fluoro-2-methylphenyl)-3-N-methylpyridine-3,5-diamine?
5-N-(3-fluoro-2-methylphenyl)-3-N-methylpyridine-3,5-diamine has a molecular weight of 231.27 g/mol, XLogP of 3.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(3-fluoro-2-methylphenyl)-3-N-methylpyridine-3,5-diamine is sourced from PubChem (CID 104533871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).