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

C14H13F2N3O2 — CID 80769194

IUPAC6-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-N-ethylpyridine-2,6-diamine
SMILESCCNc1cccc(Nc2ccc3c(c2)OC(F)(F)O3)n1
InChIInChI=1S/C14H13F2N3O2/c1-2-17-12-4-3-5-13(19-12)18-9-6-7-10-11(8-9)21-14(15,16)20-10/h3-8H,2H2,1H3,(H2,17,18,19)
InChIKeyRQFFGEGFRKOIED-UHFFFAOYSA-N
MW293.27 g/mol
LogP3.58
Rot. Bonds4

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

6-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-N-ethylpyridine-2,6-diamine (PubChem CID 80769194) has the molecular formula C14H13F2N3O2 and a molecular weight of 293.27 g/mol. Its IUPAC name is 6-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-N-ethylpyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-N-ethylpyridine-2,6-diamine
PubChem CID80769194
Molecular FormulaC14H13F2N3O2
Molecular Weight293.27 g/mol
Exact Mass293.10
IUPAC Name6-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-N-ethylpyridine-2,6-diamine
SMILESCCNc1cccc(Nc2ccc3c(c2)OC(F)(F)O3)n1
InChIInChI=1S/C14H13F2N3O2/c1-2-17-12-4-3-5-13(19-12)18-9-6-7-10-11(8-9)21-14(15,16)20-10/h3-8H,2H2,1H3,(H2,17,18,19)
InChIKeyRQFFGEGFRKOIED-UHFFFAOYSA-N
XLogP3.58
TPSA55.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.27
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-6-N-ethylpyrimidine-4,6-diamine
CID 80769198
6-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]pyridine-2-carbothioamide
CID 64587644
2-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-6-methoxypyridine-2,5-diamine
CID 43261454
6-N-(3-bromophenyl)-2-N-ethylpyridine-2,6-diamine
CID 80761080
2-N-ethyl-6-N-(3,4,5-trifluorophenyl)pyridine-2,6-diamine
CID 80824451
N-butyl-2,2-difluoro-1,3-benzodioxol-5-amine
CID 29277454
3-N-(2,2-difluoro-1,3-benzodioxol-5-yl)benzene-1,3-diamine
CID 43245747
6,8-dichloro-N-(2,2-difluoro-1,3-benzodioxol-5-yl)quinolin-2-amine
CID 166139075
6-N-[4-(difluoromethoxy)phenyl]-2-N-ethylpyridine-2,6-diamine
CID 80753539
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4,4-diethyl-5H-1,3-thiazol-2-amine
CID 62524659
2-N-ethyl-6-N-(4-methylsulfonylphenyl)pyridine-2,6-diamine
CID 80762611
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-ethyl-4,5-dihydro-1,3-thiazol-2-amine
CID 43439849

Frequently Asked Questions

What is the IUPAC name of 6-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-N-ethylpyridine-2,6-diamine?
The IUPAC name of 6-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-N-ethylpyridine-2,6-diamine (CID 80769194) is 6-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-N-ethylpyridine-2,6-diamine.
What is the SMILES notation for 6-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-N-ethylpyridine-2,6-diamine?
The canonical SMILES for 6-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-N-ethylpyridine-2,6-diamine is CCNc1cccc(Nc2ccc3c(c2)OC(F)(F)O3)n1.
What is the InChIKey of 6-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-N-ethylpyridine-2,6-diamine?
The InChIKey is RQFFGEGFRKOIED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2N3O2/c1-2-17-12-4-3-5-13(19-12)18-9-6-7-10-11(8-9)21-14(15,16)20-10/h3-8H,2H2,1H3,(H2,17,18,19).
What are the key properties of 6-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-N-ethylpyridine-2,6-diamine?
6-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-N-ethylpyridine-2,6-diamine has a molecular weight of 293.27 g/mol, XLogP of 3.58, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-N-ethylpyridine-2,6-diamine is sourced from PubChem (CID 80769194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).