5-bromo-N-[2-(2,2-difluoroethoxy)ethyl]pyridin-3-amine

C9H11BrF2N2O — CID 103081506

IUPAC5-bromo-N-[2-(2,2-difluoroethoxy)ethyl]pyridin-3-amine
SMILESFC(F)COCCNc1cncc(Br)c1
InChIInChI=1S/C9H11BrF2N2O/c10-7-3-8(5-13-4-7)14-1-2-15-6-9(11)12/h3-5,9,14H,1-2,6H2
InChIKeyHWNJVXWTYVTZRB-UHFFFAOYSA-N
MW281.10 g/mol
LogP2.54
Rot. Bonds6

About 5-bromo-N-[2-(2,2-difluoroethoxy)ethyl]pyridin-3-amine

5-bromo-N-[2-(2,2-difluoroethoxy)ethyl]pyridin-3-amine (PubChem CID 103081506) has the molecular formula C9H11BrF2N2O and a molecular weight of 281.10 g/mol. Its IUPAC name is 5-bromo-N-[2-(2,2-difluoroethoxy)ethyl]pyridin-3-amine.

Molecular Properties

Compound Name5-bromo-N-[2-(2,2-difluoroethoxy)ethyl]pyridin-3-amine
PubChem CID103081506
Molecular FormulaC9H11BrF2N2O
Molecular Weight281.10 g/mol
Exact Mass280.00
IUPAC Name5-bromo-N-[2-(2,2-difluoroethoxy)ethyl]pyridin-3-amine
SMILESFC(F)COCCNc1cncc(Br)c1
InChIInChI=1S/C9H11BrF2N2O/c10-7-3-8(5-13-4-7)14-1-2-15-6-9(11)12/h3-5,9,14H,1-2,6H2
InChIKeyHWNJVXWTYVTZRB-UHFFFAOYSA-N
XLogP2.54
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.10
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(2,2-difluoroethoxy)ethyl]pyridin-3-amine?
The IUPAC name of 5-bromo-N-[2-(2,2-difluoroethoxy)ethyl]pyridin-3-amine (CID 103081506) is 5-bromo-N-[2-(2,2-difluoroethoxy)ethyl]pyridin-3-amine.
What is the SMILES notation for 5-bromo-N-[2-(2,2-difluoroethoxy)ethyl]pyridin-3-amine?
The canonical SMILES for 5-bromo-N-[2-(2,2-difluoroethoxy)ethyl]pyridin-3-amine is FC(F)COCCNc1cncc(Br)c1.
What is the InChIKey of 5-bromo-N-[2-(2,2-difluoroethoxy)ethyl]pyridin-3-amine?
The InChIKey is HWNJVXWTYVTZRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrF2N2O/c10-7-3-8(5-13-4-7)14-1-2-15-6-9(11)12/h3-5,9,14H,1-2,6H2.
What are the key properties of 5-bromo-N-[2-(2,2-difluoroethoxy)ethyl]pyridin-3-amine?
5-bromo-N-[2-(2,2-difluoroethoxy)ethyl]pyridin-3-amine has a molecular weight of 281.10 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(2,2-difluoroethoxy)ethyl]pyridin-3-amine is sourced from PubChem (CID 103081506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).