5-bromo-3-(difluoromethoxy)pyridin-2-amine;3-(difluoromethoxy)pyridin-2-amine

C12H11BrF4N4O2 — CID 160589371

IUPAC5-bromo-3-(difluoromethoxy)pyridin-2-amine;3-(difluoromethoxy)pyridin-2-amine
SMILESNc1ncc(Br)cc1OC(F)F.Nc1ncccc1OC(F)F
InChIInChI=1S/C6H5BrF2N2O.C6H6F2N2O/c7-3-1-4(12-6(8)9)5(10)11-2-3;7-6(8)11-4-2-1-3-10-5(4)9/h1-2,6H,(H2,10,11);1-3,6H,(H2,9,10)
InChIKeyRCUPCOURRPDMLY-UHFFFAOYSA-N
MW399.14 g/mol
LogP3.29
Rot. Bonds4

About 5-bromo-3-(difluoromethoxy)pyridin-2-amine;3-(difluoromethoxy)pyridin-2-amine

5-bromo-3-(difluoromethoxy)pyridin-2-amine;3-(difluoromethoxy)pyridin-2-amine (PubChem CID 160589371) has the molecular formula C12H11BrF4N4O2 and a molecular weight of 399.14 g/mol. Its IUPAC name is 5-bromo-3-(difluoromethoxy)pyridin-2-amine;3-(difluoromethoxy)pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-3-(difluoromethoxy)pyridin-2-amine;3-(difluoromethoxy)pyridin-2-amine
PubChem CID160589371
Molecular FormulaC12H11BrF4N4O2
Molecular Weight399.14 g/mol
Exact Mass398.00
IUPAC Name5-bromo-3-(difluoromethoxy)pyridin-2-amine;3-(difluoromethoxy)pyridin-2-amine
SMILESNc1ncc(Br)cc1OC(F)F.Nc1ncccc1OC(F)F
InChIInChI=1S/C6H5BrF2N2O.C6H6F2N2O/c7-3-1-4(12-6(8)9)5(10)11-2-3;7-6(8)11-4-2-1-3-10-5(4)9/h1-2,6H,(H2,10,11);1-3,6H,(H2,9,10)
InChIKeyRCUPCOURRPDMLY-UHFFFAOYSA-N
XLogP3.29
TPSA96.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.14
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(difluoromethoxy)pyridin-2-amine;3-(difluoromethoxy)pyridin-2-amine?
The IUPAC name of 5-bromo-3-(difluoromethoxy)pyridin-2-amine;3-(difluoromethoxy)pyridin-2-amine (CID 160589371) is 5-bromo-3-(difluoromethoxy)pyridin-2-amine;3-(difluoromethoxy)pyridin-2-amine.
What is the SMILES notation for 5-bromo-3-(difluoromethoxy)pyridin-2-amine;3-(difluoromethoxy)pyridin-2-amine?
The canonical SMILES for 5-bromo-3-(difluoromethoxy)pyridin-2-amine;3-(difluoromethoxy)pyridin-2-amine is Nc1ncc(Br)cc1OC(F)F.Nc1ncccc1OC(F)F.
What is the InChIKey of 5-bromo-3-(difluoromethoxy)pyridin-2-amine;3-(difluoromethoxy)pyridin-2-amine?
The InChIKey is RCUPCOURRPDMLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrF2N2O.C6H6F2N2O/c7-3-1-4(12-6(8)9)5(10)11-2-3;7-6(8)11-4-2-1-3-10-5(4)9/h1-2,6H,(H2,10,11);1-3,6H,(H2,9,10).
What are the key properties of 5-bromo-3-(difluoromethoxy)pyridin-2-amine;3-(difluoromethoxy)pyridin-2-amine?
5-bromo-3-(difluoromethoxy)pyridin-2-amine;3-(difluoromethoxy)pyridin-2-amine has a molecular weight of 399.14 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(difluoromethoxy)pyridin-2-amine;3-(difluoromethoxy)pyridin-2-amine is sourced from PubChem (CID 160589371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).