2-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-3-methylpyridine-2,5-diamine

C13H11F2N3O2 — CID 62477042

IUPAC2-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-3-methylpyridine-2,5-diamine
SMILESCc1cc(N)cnc1Nc1ccc2c(c1)OC(F)(F)O2
InChIInChI=1S/C13H11F2N3O2/c1-7-4-8(16)6-17-12(7)18-9-2-3-10-11(5-9)20-13(14,15)19-10/h2-6H,16H2,1H3,(H,17,18)
InChIKeyABKJLRSEWSIBCS-UHFFFAOYSA-N
MW279.25 g/mol
LogP3.04
Rot. Bonds2

About 2-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-3-methylpyridine-2,5-diamine

2-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-3-methylpyridine-2,5-diamine (PubChem CID 62477042) has the molecular formula C13H11F2N3O2 and a molecular weight of 279.25 g/mol. Its IUPAC name is 2-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-3-methylpyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-3-methylpyridine-2,5-diamine
PubChem CID62477042
Molecular FormulaC13H11F2N3O2
Molecular Weight279.25 g/mol
Exact Mass279.08
IUPAC Name2-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-3-methylpyridine-2,5-diamine
SMILESCc1cc(N)cnc1Nc1ccc2c(c1)OC(F)(F)O2
InChIInChI=1S/C13H11F2N3O2/c1-7-4-8(16)6-17-12(7)18-9-2-3-10-11(5-9)20-13(14,15)19-10/h2-6H,16H2,1H3,(H,17,18)
InChIKeyABKJLRSEWSIBCS-UHFFFAOYSA-N
XLogP3.04
TPSA69.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.25
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-methylpyrimidine-2,4-diamine
CID 80768905
5-amino-2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]pyridine-3-carbonitrile
CID 60922507
3-bromo-2-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-methylpyridine-2,5-diamine
CID 104506322
2-N-(4-fluorophenyl)-3-methylpyridine-2,5-diamine
CID 62476193
3-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-methylbenzene-1,3-diamine
CID 115980643
3-N-(2,2-difluoro-1,3-benzodioxol-5-yl)benzene-1,3-diamine
CID 43245747
2-N-(1,3-benzothiazol-6-yl)-3-methylpyridine-2,5-diamine
CID 107802776
2-N-(4-tert-butylphenyl)-3-methylpyridine-2,5-diamine
CID 55187303
2-N-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methylpyridine-2,5-diamine
CID 62477062
2-N-(4-fluoro-2-methylphenyl)-3-methylpyridine-2,5-diamine
CID 62477222
2-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-6-methoxypyridine-2,5-diamine
CID 43261454
5-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methylpyridin-2-amine
CID 84604425

Frequently Asked Questions

What is the IUPAC name of 2-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-3-methylpyridine-2,5-diamine?
The IUPAC name of 2-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-3-methylpyridine-2,5-diamine (CID 62477042) is 2-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-3-methylpyridine-2,5-diamine.
What is the SMILES notation for 2-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-3-methylpyridine-2,5-diamine?
The canonical SMILES for 2-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-3-methylpyridine-2,5-diamine is Cc1cc(N)cnc1Nc1ccc2c(c1)OC(F)(F)O2.
What is the InChIKey of 2-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-3-methylpyridine-2,5-diamine?
The InChIKey is ABKJLRSEWSIBCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2N3O2/c1-7-4-8(16)6-17-12(7)18-9-2-3-10-11(5-9)20-13(14,15)19-10/h2-6H,16H2,1H3,(H,17,18).
What are the key properties of 2-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-3-methylpyridine-2,5-diamine?
2-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-3-methylpyridine-2,5-diamine has a molecular weight of 279.25 g/mol, XLogP of 3.04, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-3-methylpyridine-2,5-diamine is sourced from PubChem (CID 62477042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).