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

C13H14FN3 — CID 114254113

IUPAC2-N-(2-fluoro-3-methylphenyl)-4-methylpyridine-2,3-diamine
SMILESCc1ccnc(Nc2cccc(C)c2F)c1N
InChIInChI=1S/C13H14FN3/c1-8-4-3-5-10(11(8)14)17-13-12(15)9(2)6-7-16-13/h3-7H,15H2,1-2H3,(H,16,17)
InChIKeyKGDYAQLCECQWIE-UHFFFAOYSA-N
MW231.27 g/mol
LogP3.16
Rot. Bonds2

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

2-N-(2-fluoro-3-methylphenyl)-4-methylpyridine-2,3-diamine (PubChem CID 114254113) has the molecular formula C13H14FN3 and a molecular weight of 231.27 g/mol. Its IUPAC name is 2-N-(2-fluoro-3-methylphenyl)-4-methylpyridine-2,3-diamine.

Molecular Properties

Compound Name2-N-(2-fluoro-3-methylphenyl)-4-methylpyridine-2,3-diamine
PubChem CID114254113
Molecular FormulaC13H14FN3
Molecular Weight231.27 g/mol
Exact Mass231.12
IUPAC Name2-N-(2-fluoro-3-methylphenyl)-4-methylpyridine-2,3-diamine
SMILESCc1ccnc(Nc2cccc(C)c2F)c1N
InChIInChI=1S/C13H14FN3/c1-8-4-3-5-10(11(8)14)17-13-12(15)9(2)6-7-16-13/h3-7H,15H2,1-2H3,(H,16,17)
InChIKeyKGDYAQLCECQWIE-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

2-N-(2,5-dichloro-4-methylphenyl)-4-methylpyridine-2,3-diamine
CID 113445735
3,5-difluoro-6-N-(2-fluoro-3-methylphenyl)pyridine-2,6-diamine
CID 114254240
3-bromo-2-N-(2-fluoro-3-methylphenyl)pyridine-2,5-diamine
CID 114254112
2-N-(3-ethylphenyl)-4-methylpyridine-2,3-diamine
CID 20714444
2-N-(2-bromo-4-chlorophenyl)-4-methylpyridine-2,3-diamine
CID 81262191
3-bromo-N-(3-fluoro-2-methylphenyl)-4-methylpyridin-2-amine
CID 106876933
4-N-(3-methyl-2-pyridinyl)-6-N-quinolin-8-ylpyrimidine-4,5,6-triamine
CID 19144579
2-N-(2-methylphenyl)pyridine-2,3-diamine
CID 13143782
4-N-(2,3-dimethylphenyl)pyrimidine-4,5,6-triamine
CID 19137100
(2-fluoro-3-methylphenyl)hydrazine
CID 55280946
2-N-(8-chloroquinolin-2-yl)-4-methylpyridine-2,3-diamine
CID 67127340
5-methyl-N-(2-methylphenyl)isoquinolin-1-amine
CID 142656410

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-fluoro-3-methylphenyl)-4-methylpyridine-2,3-diamine?
The IUPAC name of 2-N-(2-fluoro-3-methylphenyl)-4-methylpyridine-2,3-diamine (CID 114254113) is 2-N-(2-fluoro-3-methylphenyl)-4-methylpyridine-2,3-diamine.
What is the SMILES notation for 2-N-(2-fluoro-3-methylphenyl)-4-methylpyridine-2,3-diamine?
The canonical SMILES for 2-N-(2-fluoro-3-methylphenyl)-4-methylpyridine-2,3-diamine is Cc1ccnc(Nc2cccc(C)c2F)c1N.
What is the InChIKey of 2-N-(2-fluoro-3-methylphenyl)-4-methylpyridine-2,3-diamine?
The InChIKey is KGDYAQLCECQWIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3/c1-8-4-3-5-10(11(8)14)17-13-12(15)9(2)6-7-16-13/h3-7H,15H2,1-2H3,(H,16,17).
What are the key properties of 2-N-(2-fluoro-3-methylphenyl)-4-methylpyridine-2,3-diamine?
2-N-(2-fluoro-3-methylphenyl)-4-methylpyridine-2,3-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-(2-fluoro-3-methylphenyl)-4-methylpyridine-2,3-diamine is sourced from PubChem (CID 114254113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).