5-bromo-2-(2,2-difluoroethoxy)pyridin-3-amine

C7H7BrF2N2O — CID 82005221

IUPAC5-bromo-2-(2,2-difluoroethoxy)pyridin-3-amine
SMILESNc1cc(Br)cnc1OCC(F)F
InChIInChI=1S/C7H7BrF2N2O/c8-4-1-5(11)7(12-2-4)13-3-6(9)10/h1-2,6H,3,11H2
InChIKeyUATBKJGEFSBFNO-UHFFFAOYSA-N
MW253.05 g/mol
LogP2.07
Rot. Bonds3

About 5-bromo-2-(2,2-difluoroethoxy)pyridin-3-amine

5-bromo-2-(2,2-difluoroethoxy)pyridin-3-amine (PubChem CID 82005221) has the molecular formula C7H7BrF2N2O and a molecular weight of 253.05 g/mol. Its IUPAC name is 5-bromo-2-(2,2-difluoroethoxy)pyridin-3-amine.

Molecular Properties

Compound Name5-bromo-2-(2,2-difluoroethoxy)pyridin-3-amine
PubChem CID82005221
Molecular FormulaC7H7BrF2N2O
Molecular Weight253.05 g/mol
Exact Mass251.97
IUPAC Name5-bromo-2-(2,2-difluoroethoxy)pyridin-3-amine
SMILESNc1cc(Br)cnc1OCC(F)F
InChIInChI=1S/C7H7BrF2N2O/c8-4-1-5(11)7(12-2-4)13-3-6(9)10/h1-2,6H,3,11H2
InChIKeyUATBKJGEFSBFNO-UHFFFAOYSA-N
XLogP2.07
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.05
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2,2-difluoroethoxy)pyridin-3-amine?
The IUPAC name of 5-bromo-2-(2,2-difluoroethoxy)pyridin-3-amine (CID 82005221) is 5-bromo-2-(2,2-difluoroethoxy)pyridin-3-amine.
What is the SMILES notation for 5-bromo-2-(2,2-difluoroethoxy)pyridin-3-amine?
The canonical SMILES for 5-bromo-2-(2,2-difluoroethoxy)pyridin-3-amine is Nc1cc(Br)cnc1OCC(F)F.
What is the InChIKey of 5-bromo-2-(2,2-difluoroethoxy)pyridin-3-amine?
The InChIKey is UATBKJGEFSBFNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrF2N2O/c8-4-1-5(11)7(12-2-4)13-3-6(9)10/h1-2,6H,3,11H2.
What are the key properties of 5-bromo-2-(2,2-difluoroethoxy)pyridin-3-amine?
5-bromo-2-(2,2-difluoroethoxy)pyridin-3-amine has a molecular weight of 253.05 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2,2-difluoroethoxy)pyridin-3-amine is sourced from PubChem (CID 82005221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).