N-(4-bromo-2-ethylphenyl)-6-fluoropyridin-2-amine

C13H12BrFN2 — CID 81287353

IUPACN-(4-bromo-2-ethylphenyl)-6-fluoropyridin-2-amine
SMILESCCc1cc(Br)ccc1Nc1cccc(F)n1
InChIInChI=1S/C13H12BrFN2/c1-2-9-8-10(14)6-7-11(9)16-13-5-3-4-12(15)17-13/h3-8H,2H2,1H3,(H,16,17)
InChIKeyCYYCYNHGFPQCGC-UHFFFAOYSA-N
MW295.16 g/mol
LogP4.29
Rot. Bonds3

About N-(4-bromo-2-ethylphenyl)-6-fluoropyridin-2-amine

N-(4-bromo-2-ethylphenyl)-6-fluoropyridin-2-amine (PubChem CID 81287353) has the molecular formula C13H12BrFN2 and a molecular weight of 295.16 g/mol. Its IUPAC name is N-(4-bromo-2-ethylphenyl)-6-fluoropyridin-2-amine.

Molecular Properties

Compound NameN-(4-bromo-2-ethylphenyl)-6-fluoropyridin-2-amine
PubChem CID81287353
Molecular FormulaC13H12BrFN2
Molecular Weight295.16 g/mol
Exact Mass294.02
IUPAC NameN-(4-bromo-2-ethylphenyl)-6-fluoropyridin-2-amine
SMILESCCc1cc(Br)ccc1Nc1cccc(F)n1
InChIInChI=1S/C13H12BrFN2/c1-2-9-8-10(14)6-7-11(9)16-13-5-3-4-12(15)17-13/h3-8H,2H2,1H3,(H,16,17)
InChIKeyCYYCYNHGFPQCGC-UHFFFAOYSA-N
XLogP4.29
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.16
LogP ≤ 54.29
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-(5-bromo-2-fluorophenyl)-6-fluoropyridin-2-amine
CID 61229571
N-(4-bromo-2-ethylphenyl)-2,3,5,6-tetrafluoropyridin-4-amine
CID 81289293
6-fluoro-N-(2-propylphenyl)pyridin-2-amine
CID 54968645
4-N-(4-bromo-2-ethylphenyl)-2-ethylpyrimidine-4,6-diamine
CID 81289211
N-(2-bromo-4-chlorophenyl)-6-fluoropyridin-2-amine
CID 81281101
2-N-(4-bromo-2-ethylphenyl)-6-propan-2-yloxypyridine-2,5-diamine
CID 81287060
5-bromo-N-(4-bromo-2-ethylphenyl)pyrimidin-2-amine
CID 81288979
N-(4-bromo-2-ethylphenyl)-6-(methylamino)pyridine-2-carboxamide
CID 81287386
6-N-(4-bromo-2-methylphenyl)-2-N-ethylpyridine-2,6-diamine
CID 80759261
N-(4-bromo-2-ethylphenyl)-5-chloro-3-fluoropyridin-2-amine
CID 81288206
1-N-(4-bromo-2-ethylphenyl)-5-chloro-6-fluorobenzene-1,2,4-triamine
CID 103553340
N-(2-chloro-4-fluorophenyl)-6-fluoropyridin-2-amine
CID 61228585

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-ethylphenyl)-6-fluoropyridin-2-amine?
The IUPAC name of N-(4-bromo-2-ethylphenyl)-6-fluoropyridin-2-amine (CID 81287353) is N-(4-bromo-2-ethylphenyl)-6-fluoropyridin-2-amine.
What is the SMILES notation for N-(4-bromo-2-ethylphenyl)-6-fluoropyridin-2-amine?
The canonical SMILES for N-(4-bromo-2-ethylphenyl)-6-fluoropyridin-2-amine is CCc1cc(Br)ccc1Nc1cccc(F)n1.
What is the InChIKey of N-(4-bromo-2-ethylphenyl)-6-fluoropyridin-2-amine?
The InChIKey is CYYCYNHGFPQCGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrFN2/c1-2-9-8-10(14)6-7-11(9)16-13-5-3-4-12(15)17-13/h3-8H,2H2,1H3,(H,16,17).
What are the key properties of N-(4-bromo-2-ethylphenyl)-6-fluoropyridin-2-amine?
N-(4-bromo-2-ethylphenyl)-6-fluoropyridin-2-amine has a molecular weight of 295.16 g/mol, XLogP of 4.29, 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)-6-fluoropyridin-2-amine is sourced from PubChem (CID 81287353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).