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

C13H14FN3 — CID 83266561

IUPAC2-N-(3-fluoro-5-methylphenyl)-5-methylpyridine-2,4-diamine
SMILESCc1cc(F)cc(Nc2cc(N)c(C)cn2)c1
InChIInChI=1S/C13H14FN3/c1-8-3-10(14)5-11(4-8)17-13-6-12(15)9(2)7-16-13/h3-7H,1-2H3,(H3,15,16,17)
InChIKeyZGVBWQBZIGLUJI-UHFFFAOYSA-N
MW231.27 g/mol
LogP3.16
Rot. Bonds2

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

2-N-(3-fluoro-5-methylphenyl)-5-methylpyridine-2,4-diamine (PubChem CID 83266561) has the molecular formula C13H14FN3 and a molecular weight of 231.27 g/mol. Its IUPAC name is 2-N-(3-fluoro-5-methylphenyl)-5-methylpyridine-2,4-diamine.

Molecular Properties

Compound Name2-N-(3-fluoro-5-methylphenyl)-5-methylpyridine-2,4-diamine
PubChem CID83266561
Molecular FormulaC13H14FN3
Molecular Weight231.27 g/mol
Exact Mass231.12
IUPAC Name2-N-(3-fluoro-5-methylphenyl)-5-methylpyridine-2,4-diamine
SMILESCc1cc(F)cc(Nc2cc(N)c(C)cn2)c1
InChIInChI=1S/C13H14FN3/c1-8-3-10(14)5-11(4-8)17-13-6-12(15)9(2)7-16-13/h3-7H,1-2H3,(H3,15,16,17)
InChIKeyZGVBWQBZIGLUJI-UHFFFAOYSA-N
XLogP3.16
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.27
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-(3-fluoro-5-methylphenyl)-5-methylpyrimidine-2,4-diamine
CID 80851369
2-N-(3-chloro-4-methylphenyl)-5-methylpyridine-2,4-diamine
CID 83266608
5-(3-fluoro-5-methylanilino)pyrazine-2-carbonitrile
CID 79049483
4-[(4-amino-5-methyl-2-pyridinyl)amino]benzonitrile
CID 83266611
N-(3-fluoro-5-methylphenyl)-6-hydrazinylpyrazin-2-amine
CID 80923268
4-[(4-amino-5-methyl-2-pyridinyl)amino]-2-bromobenzonitrile
CID 112736027
2-N-(3,5-difluorophenyl)-5-methylpyridine-2,3-diamine
CID 66280391
4-[(4-amino-5-methyl-2-pyridinyl)amino]benzene-1,2-dicarbonitrile
CID 107787129
2-N-(2,3-dihydro-1H-inden-5-yl)-5-methylpyridine-2,4-diamine
CID 83265215
2-N-(3-fluoro-5-methylphenyl)-6-(2-methylpropoxy)pyridine-2,5-diamine
CID 79041425
4-N-(3-fluoro-5-methylphenyl)quinoline-3,4-diamine
CID 103963436
4-methyl-2-N-phenylpyridine-2,5-diamine
CID 79002285

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-fluoro-5-methylphenyl)-5-methylpyridine-2,4-diamine?
The IUPAC name of 2-N-(3-fluoro-5-methylphenyl)-5-methylpyridine-2,4-diamine (CID 83266561) is 2-N-(3-fluoro-5-methylphenyl)-5-methylpyridine-2,4-diamine.
What is the SMILES notation for 2-N-(3-fluoro-5-methylphenyl)-5-methylpyridine-2,4-diamine?
The canonical SMILES for 2-N-(3-fluoro-5-methylphenyl)-5-methylpyridine-2,4-diamine is Cc1cc(F)cc(Nc2cc(N)c(C)cn2)c1.
What is the InChIKey of 2-N-(3-fluoro-5-methylphenyl)-5-methylpyridine-2,4-diamine?
The InChIKey is ZGVBWQBZIGLUJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3/c1-8-3-10(14)5-11(4-8)17-13-6-12(15)9(2)7-16-13/h3-7H,1-2H3,(H3,15,16,17).
What are the key properties of 2-N-(3-fluoro-5-methylphenyl)-5-methylpyridine-2,4-diamine?
2-N-(3-fluoro-5-methylphenyl)-5-methylpyridine-2,4-diamine has a molecular weight of 231.27 g/mol, XLogP of 3.16, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-fluoro-5-methylphenyl)-5-methylpyridine-2,4-diamine is sourced from PubChem (CID 83266561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).