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

C12H10F3N3 — CID 114254240

IUPAC3,5-difluoro-6-N-(2-fluoro-3-methylphenyl)pyridine-2,6-diamine
SMILESCc1cccc(Nc2nc(N)c(F)cc2F)c1F
InChIInChI=1S/C12H10F3N3/c1-6-3-2-4-9(10(6)15)17-12-8(14)5-7(13)11(16)18-12/h2-5H,1H3,(H3,16,17,18)
InChIKeyAOMAAWIPTAXKGM-UHFFFAOYSA-N
MW253.23 g/mol
LogP3.13
Rot. Bonds2

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

3,5-difluoro-6-N-(2-fluoro-3-methylphenyl)pyridine-2,6-diamine (PubChem CID 114254240) has the molecular formula C12H10F3N3 and a molecular weight of 253.23 g/mol. Its IUPAC name is 3,5-difluoro-6-N-(2-fluoro-3-methylphenyl)pyridine-2,6-diamine.

Molecular Properties

Compound Name3,5-difluoro-6-N-(2-fluoro-3-methylphenyl)pyridine-2,6-diamine
PubChem CID114254240
Molecular FormulaC12H10F3N3
Molecular Weight253.23 g/mol
Exact Mass253.08
IUPAC Name3,5-difluoro-6-N-(2-fluoro-3-methylphenyl)pyridine-2,6-diamine
SMILESCc1cccc(Nc2nc(N)c(F)cc2F)c1F
InChIInChI=1S/C12H10F3N3/c1-6-3-2-4-9(10(6)15)17-12-8(14)5-7(13)11(16)18-12/h2-5H,1H3,(H3,16,17,18)
InChIKeyAOMAAWIPTAXKGM-UHFFFAOYSA-N
XLogP3.13
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.23
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-N-(3-chloro-2-fluorophenyl)-3,5-difluoropyridine-2,6-diamine
CID 114073969
3,5-difluoro-6-N-(2-fluoro-5-methylphenyl)pyridine-2,6-diamine
CID 114073968
2-N-(2-fluoro-3-methylphenyl)-4-methylpyridine-2,3-diamine
CID 114254113
3-bromo-2-N-(2-fluoro-3-methylphenyl)pyridine-2,5-diamine
CID 114254112
6-N-(2-chloro-3-methylphenyl)-5-fluoro-2H-pyrazolo[3,4-b]pyridine-3,6-diamine
CID 164844282
(2-fluoro-3-methylphenyl)hydrazine
CID 55280946
N-(2-chloro-6-methylphenyl)-3,5-difluoro-6-hydrazinylpyridin-2-amine
CID 114073334
2-N-(2,3-difluorophenyl)-4,5-dimethylbenzene-1,2-diamine
CID 114281232
3,5,6-trifluoro-N-(2-methylsulfanylphenyl)pyridin-2-amine
CID 114072745
2-fluoro-N,3-dimethylaniline
CID 50998713
3,5-difluoro-6-methylpyridin-2-amine
CID 21132018
N-(2,3-dichlorophenyl)-3,5,6-trifluoropyridin-2-amine
CID 114072308

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-6-N-(2-fluoro-3-methylphenyl)pyridine-2,6-diamine?
The IUPAC name of 3,5-difluoro-6-N-(2-fluoro-3-methylphenyl)pyridine-2,6-diamine (CID 114254240) is 3,5-difluoro-6-N-(2-fluoro-3-methylphenyl)pyridine-2,6-diamine.
What is the SMILES notation for 3,5-difluoro-6-N-(2-fluoro-3-methylphenyl)pyridine-2,6-diamine?
The canonical SMILES for 3,5-difluoro-6-N-(2-fluoro-3-methylphenyl)pyridine-2,6-diamine is Cc1cccc(Nc2nc(N)c(F)cc2F)c1F.
What is the InChIKey of 3,5-difluoro-6-N-(2-fluoro-3-methylphenyl)pyridine-2,6-diamine?
The InChIKey is AOMAAWIPTAXKGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3/c1-6-3-2-4-9(10(6)15)17-12-8(14)5-7(13)11(16)18-12/h2-5H,1H3,(H3,16,17,18).
What are the key properties of 3,5-difluoro-6-N-(2-fluoro-3-methylphenyl)pyridine-2,6-diamine?
3,5-difluoro-6-N-(2-fluoro-3-methylphenyl)pyridine-2,6-diamine has a molecular weight of 253.23 g/mol, XLogP of 3.13, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-6-N-(2-fluoro-3-methylphenyl)pyridine-2,6-diamine is sourced from PubChem (CID 114254240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).