3-fluoro-5-methoxy-4-(4-nitrophenyl)aniline

C13H11FN2O3 — CID 178094722

IUPAC3-fluoro-5-methoxy-4-(4-nitrophenyl)aniline
SMILESCOc1cc(N)cc(F)c1-c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C13H11FN2O3/c1-19-12-7-9(15)6-11(14)13(12)8-2-4-10(5-3-8)16(17)18/h2-7H,15H2,1H3
InChIKeyGNHOAGYVWWKKRV-UHFFFAOYSA-N
MW262.24 g/mol
LogP2.99
Rot. Bonds3

About 3-fluoro-5-methoxy-4-(4-nitrophenyl)aniline

3-fluoro-5-methoxy-4-(4-nitrophenyl)aniline (PubChem CID 178094722) has the molecular formula C13H11FN2O3 and a molecular weight of 262.24 g/mol. Its IUPAC name is 3-fluoro-5-methoxy-4-(4-nitrophenyl)aniline.

Molecular Properties

Compound Name3-fluoro-5-methoxy-4-(4-nitrophenyl)aniline
PubChem CID178094722
Molecular FormulaC13H11FN2O3
Molecular Weight262.24 g/mol
Exact Mass262.08
IUPAC Name3-fluoro-5-methoxy-4-(4-nitrophenyl)aniline
SMILESCOc1cc(N)cc(F)c1-c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C13H11FN2O3/c1-19-12-7-9(15)6-11(14)13(12)8-2-4-10(5-3-8)16(17)18/h2-7H,15H2,1H3
InChIKeyGNHOAGYVWWKKRV-UHFFFAOYSA-N
XLogP2.99
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.24
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,5-dimethoxybenzene-1,4-diamine;ethane;4-methylaniline;4-nitroaniline
CID 169183184
2-(3-chloro-4-methoxyphenyl)-3-fluoro-5-nitrobenzonitrile
CID 170434327
3,5-bis(2-methoxy-4-nitrophenoxy)aniline
CID 87090189
1,3-dimethoxy-5-(4-nitrophenyl)benzene
CID 101434697
aniline;2-methoxy-4-nitroaniline
CID 154966148
2-(2-fluoro-4-nitrophenoxy)-1-methoxy-4-nitrobenzene
CID 154791901
2,4-dimethoxy-1-(4-nitrophenyl)benzene
CID 59205838
2-methoxy-4-nitrobenzenethiol
CID 22148741
3,4,5-trimethoxy-2-(4-nitrophenyl)benzenesulfonic acid
CID 87978454
1-bromo-2,4-difluoro-3-(4-nitrophenyl)benzene
CID 102529934
2,6-difluoro-3-(4-nitrophenyl)aniline
CID 165455095
methane;1,3,5-trimethyl-2-(4-nitrophenyl)benzene;4-(2,4,6-trimethylphenyl)aniline;hydrochloride
CID 159571615

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-methoxy-4-(4-nitrophenyl)aniline?
The IUPAC name of 3-fluoro-5-methoxy-4-(4-nitrophenyl)aniline (CID 178094722) is 3-fluoro-5-methoxy-4-(4-nitrophenyl)aniline.
What is the SMILES notation for 3-fluoro-5-methoxy-4-(4-nitrophenyl)aniline?
The canonical SMILES for 3-fluoro-5-methoxy-4-(4-nitrophenyl)aniline is COc1cc(N)cc(F)c1-c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 3-fluoro-5-methoxy-4-(4-nitrophenyl)aniline?
The InChIKey is GNHOAGYVWWKKRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O3/c1-19-12-7-9(15)6-11(14)13(12)8-2-4-10(5-3-8)16(17)18/h2-7H,15H2,1H3.
What are the key properties of 3-fluoro-5-methoxy-4-(4-nitrophenyl)aniline?
3-fluoro-5-methoxy-4-(4-nitrophenyl)aniline has a molecular weight of 262.24 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-methoxy-4-(4-nitrophenyl)aniline is sourced from PubChem (CID 178094722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).