4-fluoro-N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-nitroaniline

C13H11F2N3O2 — CID 83117435

IUPAC4-fluoro-N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-nitroaniline
SMILESCC(Nc1ccc(F)cc1[N+](=O)[O-])c1ccc(F)cn1
InChIInChI=1S/C13H11F2N3O2/c1-8(11-4-3-10(15)7-16-11)17-12-5-2-9(14)6-13(12)18(19)20/h2-8,17H,1H3
InChIKeyGZLIBSIBFUTNOD-UHFFFAOYSA-N
MW279.25 g/mol
LogP3.44
Rot. Bonds4

About 4-fluoro-N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-nitroaniline

4-fluoro-N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-nitroaniline (PubChem CID 83117435) has the molecular formula C13H11F2N3O2 and a molecular weight of 279.25 g/mol. Its IUPAC name is 4-fluoro-N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-nitroaniline.

Molecular Properties

Compound Name4-fluoro-N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-nitroaniline
PubChem CID83117435
Molecular FormulaC13H11F2N3O2
Molecular Weight279.25 g/mol
Exact Mass279.08
IUPAC Name4-fluoro-N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-nitroaniline
SMILESCC(Nc1ccc(F)cc1[N+](=O)[O-])c1ccc(F)cn1
InChIInChI=1S/C13H11F2N3O2/c1-8(11-4-3-10(15)7-16-11)17-12-5-2-9(14)6-13(12)18(19)20/h2-8,17H,1H3
InChIKeyGZLIBSIBFUTNOD-UHFFFAOYSA-N
XLogP3.44
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.25
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-2-nitro-N-(1-pyridin-3-ylethyl)aniline
CID 43222089
N-[1-(5-fluoro-2-pyridinyl)ethyl]-3-nitroaniline
CID 83117361
4-fluoro-N-[1-(2-methylpyrazol-3-yl)ethyl]-2-nitroaniline
CID 106757183
4-fluoro-2-nitro-N-[1-(2H-tetrazol-5-yl)ethyl]aniline
CID 115590428
4-fluoro-2-nitro-N-pentan-3-ylaniline
CID 43218109
2-N-(4-fluoro-2-nitrophenyl)propane-1,2-diamine
CID 63733393
2,4-dichloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline
CID 83118233
4-fluoro-N-(5-methylhexan-2-yl)-2-nitroaniline
CID 43685298
3-(4-fluoro-2-nitroanilino)-2-methylbutanoic acid
CID 113415980
4-bromo-N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-methylaniline
CID 83118311
N-[1-(2,4-difluorophenyl)ethyl]-4-methyl-2-nitroaniline
CID 43718677
2-nitro-N-[(1S)-1-pyridin-2-ylethyl]-4-(trifluoromethyl)aniline
CID 40714525

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-nitroaniline?
The IUPAC name of 4-fluoro-N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-nitroaniline (CID 83117435) is 4-fluoro-N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-nitroaniline.
What is the SMILES notation for 4-fluoro-N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-nitroaniline?
The canonical SMILES for 4-fluoro-N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-nitroaniline is CC(Nc1ccc(F)cc1[N+](=O)[O-])c1ccc(F)cn1.
What is the InChIKey of 4-fluoro-N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-nitroaniline?
The InChIKey is GZLIBSIBFUTNOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2N3O2/c1-8(11-4-3-10(15)7-16-11)17-12-5-2-9(14)6-13(12)18(19)20/h2-8,17H,1H3.
What are the key properties of 4-fluoro-N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-nitroaniline?
4-fluoro-N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-nitroaniline has a molecular weight of 279.25 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-nitroaniline is sourced from PubChem (CID 83117435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).