N-(4-bromo-2-ethylphenyl)-2,3,5,6-tetrafluoropyridin-4-amine

C13H9BrF4N2 — CID 81289293

IUPACN-(4-bromo-2-ethylphenyl)-2,3,5,6-tetrafluoropyridin-4-amine
SMILESCCc1cc(Br)ccc1Nc1c(F)c(F)nc(F)c1F
InChIInChI=1S/C13H9BrF4N2/c1-2-6-5-7(14)3-4-8(6)19-11-9(15)12(17)20-13(18)10(11)16/h3-5H,2H2,1H3,(H,19,20)
InChIKeyODUKWWLYFGYUFZ-UHFFFAOYSA-N
MW349.13 g/mol
LogP4.71
Rot. Bonds3

About N-(4-bromo-2-ethylphenyl)-2,3,5,6-tetrafluoropyridin-4-amine

N-(4-bromo-2-ethylphenyl)-2,3,5,6-tetrafluoropyridin-4-amine (PubChem CID 81289293) has the molecular formula C13H9BrF4N2 and a molecular weight of 349.13 g/mol. Its IUPAC name is N-(4-bromo-2-ethylphenyl)-2,3,5,6-tetrafluoropyridin-4-amine.

Molecular Properties

Compound NameN-(4-bromo-2-ethylphenyl)-2,3,5,6-tetrafluoropyridin-4-amine
PubChem CID81289293
Molecular FormulaC13H9BrF4N2
Molecular Weight349.13 g/mol
Exact Mass347.99
IUPAC NameN-(4-bromo-2-ethylphenyl)-2,3,5,6-tetrafluoropyridin-4-amine
SMILESCCc1cc(Br)ccc1Nc1c(F)c(F)nc(F)c1F
InChIInChI=1S/C13H9BrF4N2/c1-2-6-5-7(14)3-4-8(6)19-11-9(15)12(17)20-13(18)10(11)16/h3-5H,2H2,1H3,(H,19,20)
InChIKeyODUKWWLYFGYUFZ-UHFFFAOYSA-N
XLogP4.71
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.13
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(4-bromo-2-ethylphenyl)-6-fluoropyridin-2-amine
CID 81287353
1-N-(4-bromo-2-ethylphenyl)-5-chloro-6-fluorobenzene-1,2,4-triamine
CID 103553340
5-bromo-N-(4-bromo-2-ethylphenyl)pyrimidin-2-amine
CID 81288979
2-bromo-4-(4-bromo-2-ethylanilino)-3-fluorobenzonitrile
CID 107533888
N-(4-bromo-2-ethylphenyl)-5-chloro-3-fluoropyridin-2-amine
CID 81288206
4-N-(4-bromo-2-ethylphenyl)-2-ethylpyrimidine-4,6-diamine
CID 81289211
1-N-(4-bromo-2-ethylphenyl)-4-fluoro-5-methylbenzene-1,2-diamine
CID 103590606
4-(4-bromo-2-ethylanilino)-3-fluorobenzonitrile
CID 81292749
5-N-(4-bromo-2-ethylphenyl)-3-N-methylpyridine-3,5-diamine
CID 104535480
3-(4-bromo-2-ethylanilino)-5-fluorobenzonitrile
CID 102816970
4-bromo-2-ethyl-1-fluorobenzene
CID 22641025
N-(4-bromo-2-ethylphenyl)-2-chloropyridin-4-amine
CID 102824327

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-ethylphenyl)-2,3,5,6-tetrafluoropyridin-4-amine?
The IUPAC name of N-(4-bromo-2-ethylphenyl)-2,3,5,6-tetrafluoropyridin-4-amine (CID 81289293) is N-(4-bromo-2-ethylphenyl)-2,3,5,6-tetrafluoropyridin-4-amine.
What is the SMILES notation for N-(4-bromo-2-ethylphenyl)-2,3,5,6-tetrafluoropyridin-4-amine?
The canonical SMILES for N-(4-bromo-2-ethylphenyl)-2,3,5,6-tetrafluoropyridin-4-amine is CCc1cc(Br)ccc1Nc1c(F)c(F)nc(F)c1F.
What is the InChIKey of N-(4-bromo-2-ethylphenyl)-2,3,5,6-tetrafluoropyridin-4-amine?
The InChIKey is ODUKWWLYFGYUFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrF4N2/c1-2-6-5-7(14)3-4-8(6)19-11-9(15)12(17)20-13(18)10(11)16/h3-5H,2H2,1H3,(H,19,20).
What are the key properties of N-(4-bromo-2-ethylphenyl)-2,3,5,6-tetrafluoropyridin-4-amine?
N-(4-bromo-2-ethylphenyl)-2,3,5,6-tetrafluoropyridin-4-amine has a molecular weight of 349.13 g/mol, XLogP of 4.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-ethylphenyl)-2,3,5,6-tetrafluoropyridin-4-amine is sourced from PubChem (CID 81289293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).