5,6-bis(2,2-difluoro-1,3-benzodioxol-4-yl)pyridin-3-amine

C19H10F4N2O4 — CID 129244085

IUPAC5,6-bis(2,2-difluoro-1,3-benzodioxol-4-yl)pyridin-3-amine
SMILESNc1cnc(-c2cccc3c2OC(F)(F)O3)c(-c2cccc3c2OC(F)(F)O3)c1
InChIInChI=1S/C19H10F4N2O4/c20-18(21)26-13-5-1-3-10(16(13)28-18)12-7-9(24)8-25-15(12)11-4-2-6-14-17(11)29-19(22,23)27-14/h1-8H,24H2
InChIKeyUQCNZIAIOWZXMN-UHFFFAOYSA-N
MW406.29 g/mol
LogP4.64
Rot. Bonds2

About 5,6-bis(2,2-difluoro-1,3-benzodioxol-4-yl)pyridin-3-amine

5,6-bis(2,2-difluoro-1,3-benzodioxol-4-yl)pyridin-3-amine (PubChem CID 129244085) has the molecular formula C19H10F4N2O4 and a molecular weight of 406.29 g/mol. Its IUPAC name is 5,6-bis(2,2-difluoro-1,3-benzodioxol-4-yl)pyridin-3-amine.

Molecular Properties

Compound Name5,6-bis(2,2-difluoro-1,3-benzodioxol-4-yl)pyridin-3-amine
PubChem CID129244085
Molecular FormulaC19H10F4N2O4
Molecular Weight406.29 g/mol
Exact Mass406.06
IUPAC Name5,6-bis(2,2-difluoro-1,3-benzodioxol-4-yl)pyridin-3-amine
SMILESNc1cnc(-c2cccc3c2OC(F)(F)O3)c(-c2cccc3c2OC(F)(F)O3)c1
InChIInChI=1S/C19H10F4N2O4/c20-18(21)26-13-5-1-3-10(16(13)28-18)12-7-9(24)8-25-15(12)11-4-2-6-14-17(11)29-19(22,23)27-14/h1-8H,24H2
InChIKeyUQCNZIAIOWZXMN-UHFFFAOYSA-N
XLogP4.64
TPSA75.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.29
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5,6-bis(2,2-difluoro-1,3-benzodioxol-4-yl)pyridin-3-amine?
The IUPAC name of 5,6-bis(2,2-difluoro-1,3-benzodioxol-4-yl)pyridin-3-amine (CID 129244085) is 5,6-bis(2,2-difluoro-1,3-benzodioxol-4-yl)pyridin-3-amine.
What is the SMILES notation for 5,6-bis(2,2-difluoro-1,3-benzodioxol-4-yl)pyridin-3-amine?
The canonical SMILES for 5,6-bis(2,2-difluoro-1,3-benzodioxol-4-yl)pyridin-3-amine is Nc1cnc(-c2cccc3c2OC(F)(F)O3)c(-c2cccc3c2OC(F)(F)O3)c1.
What is the InChIKey of 5,6-bis(2,2-difluoro-1,3-benzodioxol-4-yl)pyridin-3-amine?
The InChIKey is UQCNZIAIOWZXMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10F4N2O4/c20-18(21)26-13-5-1-3-10(16(13)28-18)12-7-9(24)8-25-15(12)11-4-2-6-14-17(11)29-19(22,23)27-14/h1-8H,24H2.
What are the key properties of 5,6-bis(2,2-difluoro-1,3-benzodioxol-4-yl)pyridin-3-amine?
5,6-bis(2,2-difluoro-1,3-benzodioxol-4-yl)pyridin-3-amine has a molecular weight of 406.29 g/mol, XLogP of 4.64, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-bis(2,2-difluoro-1,3-benzodioxol-4-yl)pyridin-3-amine is sourced from PubChem (CID 129244085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).