5-bromo-N-[2-(2,2-difluoroethoxy)ethyl]-4-methylpyridin-2-amine

C10H13BrF2N2O — CID 103081342

IUPAC5-bromo-N-[2-(2,2-difluoroethoxy)ethyl]-4-methylpyridin-2-amine
SMILESCc1cc(NCCOCC(F)F)ncc1Br
InChIInChI=1S/C10H13BrF2N2O/c1-7-4-10(15-5-8(7)11)14-2-3-16-6-9(12)13/h4-5,9H,2-3,6H2,1H3,(H,14,15)
InChIKeyGZQUMMCBYORECU-UHFFFAOYSA-N
MW295.13 g/mol
LogP2.85
Rot. Bonds6

About 5-bromo-N-[2-(2,2-difluoroethoxy)ethyl]-4-methylpyridin-2-amine

5-bromo-N-[2-(2,2-difluoroethoxy)ethyl]-4-methylpyridin-2-amine (PubChem CID 103081342) has the molecular formula C10H13BrF2N2O and a molecular weight of 295.13 g/mol. Its IUPAC name is 5-bromo-N-[2-(2,2-difluoroethoxy)ethyl]-4-methylpyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-[2-(2,2-difluoroethoxy)ethyl]-4-methylpyridin-2-amine
PubChem CID103081342
Molecular FormulaC10H13BrF2N2O
Molecular Weight295.13 g/mol
Exact Mass294.02
IUPAC Name5-bromo-N-[2-(2,2-difluoroethoxy)ethyl]-4-methylpyridin-2-amine
SMILESCc1cc(NCCOCC(F)F)ncc1Br
InChIInChI=1S/C10H13BrF2N2O/c1-7-4-10(15-5-8(7)11)14-2-3-16-6-9(12)13/h4-5,9H,2-3,6H2,1H3,(H,14,15)
InChIKeyGZQUMMCBYORECU-UHFFFAOYSA-N
XLogP2.85
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.13
LogP ≤ 52.85
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]-4-methylpyridin-2-amine?
The IUPAC name of 5-bromo-N-[2-(2,2-difluoroethoxy)ethyl]-4-methylpyridin-2-amine (CID 103081342) is 5-bromo-N-[2-(2,2-difluoroethoxy)ethyl]-4-methylpyridin-2-amine.
What is the SMILES notation for 5-bromo-N-[2-(2,2-difluoroethoxy)ethyl]-4-methylpyridin-2-amine?
The canonical SMILES for 5-bromo-N-[2-(2,2-difluoroethoxy)ethyl]-4-methylpyridin-2-amine is Cc1cc(NCCOCC(F)F)ncc1Br.
What is the InChIKey of 5-bromo-N-[2-(2,2-difluoroethoxy)ethyl]-4-methylpyridin-2-amine?
The InChIKey is GZQUMMCBYORECU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrF2N2O/c1-7-4-10(15-5-8(7)11)14-2-3-16-6-9(12)13/h4-5,9H,2-3,6H2,1H3,(H,14,15).
What are the key properties of 5-bromo-N-[2-(2,2-difluoroethoxy)ethyl]-4-methylpyridin-2-amine?
5-bromo-N-[2-(2,2-difluoroethoxy)ethyl]-4-methylpyridin-2-amine has a molecular weight of 295.13 g/mol, XLogP of 2.85, 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]-4-methylpyridin-2-amine is sourced from PubChem (CID 103081342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).