2-[(4-fluorophenyl)iminomethyl]-6-methoxy-4-nitrophenol

C14H11FN2O4 — CID 4062923

IUPAC2-[(4-fluorophenyl)iminomethyl]-6-methoxy-4-nitrophenol
SMILESCOc1cc([N+](=O)[O-])cc(/C=N/c2ccc(F)cc2)c1O
InChIInChI=1S/C14H11FN2O4/c1-21-13-7-12(17(19)20)6-9(14(13)18)8-16-11-4-2-10(15)3-5-11/h2-8,18H,1H3/b16-8+
InChIKeyQTIWXFBFDDEJIH-LZYBPNLTSA-N
MW290.25 g/mol
LogP3.20
Rot. Bonds4

About 2-[(4-fluorophenyl)iminomethyl]-6-methoxy-4-nitrophenol

2-[(4-fluorophenyl)iminomethyl]-6-methoxy-4-nitrophenol (PubChem CID 4062923) has the molecular formula C14H11FN2O4 and a molecular weight of 290.25 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)iminomethyl]-6-methoxy-4-nitrophenol.

Molecular Properties

Compound Name2-[(4-fluorophenyl)iminomethyl]-6-methoxy-4-nitrophenol
PubChem CID4062923
Molecular FormulaC14H11FN2O4
Molecular Weight290.25 g/mol
Exact Mass290.07
IUPAC Name2-[(4-fluorophenyl)iminomethyl]-6-methoxy-4-nitrophenol
SMILESCOc1cc([N+](=O)[O-])cc(/C=N/c2ccc(F)cc2)c1O
InChIInChI=1S/C14H11FN2O4/c1-21-13-7-12(17(19)20)6-9(14(13)18)8-16-11-4-2-10(15)3-5-11/h2-8,18H,1H3/b16-8+
InChIKeyQTIWXFBFDDEJIH-LZYBPNLTSA-N
XLogP3.20
TPSA84.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.25
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)iminomethyl]-6-methoxy-4-nitrophenol?
The IUPAC name of 2-[(4-fluorophenyl)iminomethyl]-6-methoxy-4-nitrophenol (CID 4062923) is 2-[(4-fluorophenyl)iminomethyl]-6-methoxy-4-nitrophenol.
What is the SMILES notation for 2-[(4-fluorophenyl)iminomethyl]-6-methoxy-4-nitrophenol?
The canonical SMILES for 2-[(4-fluorophenyl)iminomethyl]-6-methoxy-4-nitrophenol is COc1cc([N+](=O)[O-])cc(/C=N/c2ccc(F)cc2)c1O.
What is the InChIKey of 2-[(4-fluorophenyl)iminomethyl]-6-methoxy-4-nitrophenol?
The InChIKey is QTIWXFBFDDEJIH-LZYBPNLTSA-N. The full InChI is InChI=1S/C14H11FN2O4/c1-21-13-7-12(17(19)20)6-9(14(13)18)8-16-11-4-2-10(15)3-5-11/h2-8,18H,1H3/b16-8+.
What are the key properties of 2-[(4-fluorophenyl)iminomethyl]-6-methoxy-4-nitrophenol?
2-[(4-fluorophenyl)iminomethyl]-6-methoxy-4-nitrophenol has a molecular weight of 290.25 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)iminomethyl]-6-methoxy-4-nitrophenol is sourced from PubChem (CID 4062923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).