2-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-6-methoxypyridine-2,5-diamine

C13H11F2N3O3 — CID 43261454

IUPAC2-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-6-methoxypyridine-2,5-diamine
SMILESCOc1nc(Nc2ccc3c(c2)OC(F)(F)O3)ccc1N
InChIInChI=1S/C13H11F2N3O3/c1-19-12-8(16)3-5-11(18-12)17-7-2-4-9-10(6-7)21-13(14,15)20-9/h2-6H,16H2,1H3,(H,17,18)
InChIKeyAZVOWBSAAGLSJE-UHFFFAOYSA-N
MW295.25 g/mol
LogP2.74
Rot. Bonds3

About 2-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-6-methoxypyridine-2,5-diamine

2-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-6-methoxypyridine-2,5-diamine (PubChem CID 43261454) has the molecular formula C13H11F2N3O3 and a molecular weight of 295.25 g/mol. Its IUPAC name is 2-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-6-methoxypyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-6-methoxypyridine-2,5-diamine
PubChem CID43261454
Molecular FormulaC13H11F2N3O3
Molecular Weight295.25 g/mol
Exact Mass295.08
IUPAC Name2-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-6-methoxypyridine-2,5-diamine
SMILESCOc1nc(Nc2ccc3c(c2)OC(F)(F)O3)ccc1N
InChIInChI=1S/C13H11F2N3O3/c1-19-12-8(16)3-5-11(18-12)17-7-2-4-9-10(6-7)21-13(14,15)20-9/h2-6H,16H2,1H3,(H,17,18)
InChIKeyAZVOWBSAAGLSJE-UHFFFAOYSA-N
XLogP2.74
TPSA78.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.25
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-(1-benzothiophen-5-yl)-6-methoxypyridine-2,5-diamine
CID 65475431
2-N-(3,5-dimethoxyphenyl)-6-methoxypyridine-2,5-diamine
CID 43261435
2-N-(3,5-dichlorophenyl)-6-methoxypyridine-2,5-diamine
CID 43261448
6-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-N-ethylpyridine-2,6-diamine
CID 80769194
6-methoxy-2-N-(3-methoxyphenyl)pyridine-2,5-diamine
CID 43261675
6,8-dichloro-N-(2,2-difluoro-1,3-benzodioxol-5-yl)quinolin-2-amine
CID 166139075
6-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]pyridine-2-carbothioamide
CID 64587644
2-N-(4-ethylphenyl)-6-methoxypyridine-2,5-diamine
CID 43261633
3-N-(2,2-difluoro-1,3-benzodioxol-5-yl)benzene-1,3-diamine
CID 43245747
3-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-methylbenzene-1,3-diamine
CID 115980643
2-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-3-methylpyridine-2,5-diamine
CID 62477042
4-bromo-1-N-(2,2-difluoro-1,3-benzodioxol-5-yl)benzene-1,2-diamine
CID 29067009

Frequently Asked Questions

What is the IUPAC name of 2-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-6-methoxypyridine-2,5-diamine?
The IUPAC name of 2-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-6-methoxypyridine-2,5-diamine (CID 43261454) is 2-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-6-methoxypyridine-2,5-diamine.
What is the SMILES notation for 2-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-6-methoxypyridine-2,5-diamine?
The canonical SMILES for 2-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-6-methoxypyridine-2,5-diamine is COc1nc(Nc2ccc3c(c2)OC(F)(F)O3)ccc1N.
What is the InChIKey of 2-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-6-methoxypyridine-2,5-diamine?
The InChIKey is AZVOWBSAAGLSJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2N3O3/c1-19-12-8(16)3-5-11(18-12)17-7-2-4-9-10(6-7)21-13(14,15)20-9/h2-6H,16H2,1H3,(H,17,18).
What are the key properties of 2-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-6-methoxypyridine-2,5-diamine?
2-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-6-methoxypyridine-2,5-diamine has a molecular weight of 295.25 g/mol, XLogP of 2.74, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-6-methoxypyridine-2,5-diamine is sourced from PubChem (CID 43261454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).