4-(5-bromo-2,3-difluorophenoxy)-N-ethylpyridin-2-amine

C13H11BrF2N2O — CID 107102586

IUPAC4-(5-bromo-2,3-difluorophenoxy)-N-ethylpyridin-2-amine
SMILESCCNc1cc(Oc2cc(Br)cc(F)c2F)ccn1
InChIInChI=1S/C13H11BrF2N2O/c1-2-17-12-7-9(3-4-18-12)19-11-6-8(14)5-10(15)13(11)16/h3-7H,2H2,1H3,(H,17,18)
InChIKeyPXNJHVBEYPKWJL-UHFFFAOYSA-N
MW329.14 g/mol
LogP4.35
Rot. Bonds4

About 4-(5-bromo-2,3-difluorophenoxy)-N-ethylpyridin-2-amine

4-(5-bromo-2,3-difluorophenoxy)-N-ethylpyridin-2-amine (PubChem CID 107102586) has the molecular formula C13H11BrF2N2O and a molecular weight of 329.14 g/mol. Its IUPAC name is 4-(5-bromo-2,3-difluorophenoxy)-N-ethylpyridin-2-amine.

Molecular Properties

Compound Name4-(5-bromo-2,3-difluorophenoxy)-N-ethylpyridin-2-amine
PubChem CID107102586
Molecular FormulaC13H11BrF2N2O
Molecular Weight329.14 g/mol
Exact Mass328.00
IUPAC Name4-(5-bromo-2,3-difluorophenoxy)-N-ethylpyridin-2-amine
SMILESCCNc1cc(Oc2cc(Br)cc(F)c2F)ccn1
InChIInChI=1S/C13H11BrF2N2O/c1-2-17-12-7-9(3-4-18-12)19-11-6-8(14)5-10(15)13(11)16/h3-7H,2H2,1H3,(H,17,18)
InChIKeyPXNJHVBEYPKWJL-UHFFFAOYSA-N
XLogP4.35
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.14
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

4-(3-bromo-5-fluorophenoxy)-N-ethylpyridin-2-amine
CID 113368173
4-(5-bromo-2,3-difluorophenoxy)-2-methylpyridine
CID 107099516
2-[(5-bromo-2,3-difluorophenoxy)methyl]-N-ethylpyridin-4-amine
CID 107101003
4-(5-bromo-2,3-difluorophenoxy)-2-chloropyridine
CID 107098123
5-(5-bromo-2,3-difluorophenoxy)-N-propylpyridin-3-amine
CID 107102609
N-(4-bromo-2,6-difluorophenyl)-2-(ethylamino)pyridine-4-carboxamide
CID 65499839
5-bromo-1-(3,3-dimethylbutoxy)-2,3-difluorobenzene
CID 107098584
N-ethyl-4-[(2,3,5,6-tetrafluorophenoxy)methyl]pyridin-2-amine
CID 103290176
2-(5-bromo-2,3-difluorophenoxy)-4-(chloromethyl)pyridine
CID 107100912
5-bromo-1-[4-(bromomethyl)-3-methylphenoxy]-2,3-difluorobenzene
CID 107100289
N-[[3-(5-bromo-2,3-difluorophenoxy)-5-fluorophenyl]methyl]ethanamine
CID 107101981
4-(5-bromo-2,3-difluorophenoxy)aniline
CID 107097389

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-2,3-difluorophenoxy)-N-ethylpyridin-2-amine?
The IUPAC name of 4-(5-bromo-2,3-difluorophenoxy)-N-ethylpyridin-2-amine (CID 107102586) is 4-(5-bromo-2,3-difluorophenoxy)-N-ethylpyridin-2-amine.
What is the SMILES notation for 4-(5-bromo-2,3-difluorophenoxy)-N-ethylpyridin-2-amine?
The canonical SMILES for 4-(5-bromo-2,3-difluorophenoxy)-N-ethylpyridin-2-amine is CCNc1cc(Oc2cc(Br)cc(F)c2F)ccn1.
What is the InChIKey of 4-(5-bromo-2,3-difluorophenoxy)-N-ethylpyridin-2-amine?
The InChIKey is PXNJHVBEYPKWJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrF2N2O/c1-2-17-12-7-9(3-4-18-12)19-11-6-8(14)5-10(15)13(11)16/h3-7H,2H2,1H3,(H,17,18).
What are the key properties of 4-(5-bromo-2,3-difluorophenoxy)-N-ethylpyridin-2-amine?
4-(5-bromo-2,3-difluorophenoxy)-N-ethylpyridin-2-amine has a molecular weight of 329.14 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-2,3-difluorophenoxy)-N-ethylpyridin-2-amine is sourced from PubChem (CID 107102586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).