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

C13H14FN3 — CID 62477222

IUPAC2-N-(4-fluoro-2-methylphenyl)-3-methylpyridine-2,5-diamine
SMILESCc1cc(F)ccc1Nc1ncc(N)cc1C
InChIInChI=1S/C13H14FN3/c1-8-5-10(14)3-4-12(8)17-13-9(2)6-11(15)7-16-13/h3-7H,15H2,1-2H3,(H,16,17)
InChIKeyACESAKCZQSWPGX-UHFFFAOYSA-N
MW231.27 g/mol
LogP3.16
Rot. Bonds2

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

2-N-(4-fluoro-2-methylphenyl)-3-methylpyridine-2,5-diamine (PubChem CID 62477222) has the molecular formula C13H14FN3 and a molecular weight of 231.27 g/mol. Its IUPAC name is 2-N-(4-fluoro-2-methylphenyl)-3-methylpyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-(4-fluoro-2-methylphenyl)-3-methylpyridine-2,5-diamine
PubChem CID62477222
Molecular FormulaC13H14FN3
Molecular Weight231.27 g/mol
Exact Mass231.12
IUPAC Name2-N-(4-fluoro-2-methylphenyl)-3-methylpyridine-2,5-diamine
SMILESCc1cc(F)ccc1Nc1ncc(N)cc1C
InChIInChI=1S/C13H14FN3/c1-8-5-10(14)3-4-12(8)17-13-9(2)6-11(15)7-16-13/h3-7H,15H2,1-2H3,(H,16,17)
InChIKeyACESAKCZQSWPGX-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-(4-fluorophenyl)-3-methylpyridine-2,5-diamine
CID 62476193
2-N-(5-fluoro-2-methoxyphenyl)-3-methylpyridine-2,5-diamine
CID 115147812
1-N-(4-fluoro-2-methylphenyl)-2-methylbenzene-1,4-diamine
CID 43165593
2-N-(2-chloro-3-methylphenyl)-3-methylpyridine-2,5-diamine
CID 114250638
2-N-(4-tert-butylphenyl)-3-methylpyridine-2,5-diamine
CID 55187303
3-methyl-2-N-quinolin-8-ylpyridine-2,5-diamine
CID 62476690
2-N-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methylpyridine-2,5-diamine
CID 62477062
2-(4-amino-2-methylanilino)-5-fluorobenzonitrile
CID 82014840
3,5-difluoro-1-N-(4-fluoro-2-methylphenyl)benzene-1,2-diamine
CID 113325134
2-N-(4-bromo-3,5-dimethylphenyl)-3-methylpyridine-2,5-diamine
CID 107571400
5-amino-2-(2-chloro-4-fluoroanilino)pyridine-3-carbonitrile
CID 54860679
2-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-3-methylpyridine-2,5-diamine
CID 62477042

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-fluoro-2-methylphenyl)-3-methylpyridine-2,5-diamine?
The IUPAC name of 2-N-(4-fluoro-2-methylphenyl)-3-methylpyridine-2,5-diamine (CID 62477222) is 2-N-(4-fluoro-2-methylphenyl)-3-methylpyridine-2,5-diamine.
What is the SMILES notation for 2-N-(4-fluoro-2-methylphenyl)-3-methylpyridine-2,5-diamine?
The canonical SMILES for 2-N-(4-fluoro-2-methylphenyl)-3-methylpyridine-2,5-diamine is Cc1cc(F)ccc1Nc1ncc(N)cc1C.
What is the InChIKey of 2-N-(4-fluoro-2-methylphenyl)-3-methylpyridine-2,5-diamine?
The InChIKey is ACESAKCZQSWPGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3/c1-8-5-10(14)3-4-12(8)17-13-9(2)6-11(15)7-16-13/h3-7H,15H2,1-2H3,(H,16,17).
What are the key properties of 2-N-(4-fluoro-2-methylphenyl)-3-methylpyridine-2,5-diamine?
2-N-(4-fluoro-2-methylphenyl)-3-methylpyridine-2,5-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-(4-fluoro-2-methylphenyl)-3-methylpyridine-2,5-diamine is sourced from PubChem (CID 62477222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).