4-chloro-2-[[(4-fluorophenyl)hydrazinylidene]methyl]-6-nitrophenol

C13H9ClFN3O3 — CID 4615262

IUPAC4-chloro-2-[[(4-fluorophenyl)hydrazinylidene]methyl]-6-nitrophenol
SMILESO=[N+]([O-])c1cc(Cl)cc(C=NNc2ccc(F)cc2)c1O
InChIInChI=1S/C13H9ClFN3O3/c14-9-5-8(13(19)12(6-9)18(20)21)7-16-17-11-3-1-10(15)2-4-11/h1-7,17,19H
InChIKeyQVVPNSJJIOKTOW-UHFFFAOYSA-N
MW309.68 g/mol
LogP3.54
Rot. Bonds4

About 4-chloro-2-[[(4-fluorophenyl)hydrazinylidene]methyl]-6-nitrophenol

4-chloro-2-[[(4-fluorophenyl)hydrazinylidene]methyl]-6-nitrophenol (PubChem CID 4615262) has the molecular formula C13H9ClFN3O3 and a molecular weight of 309.68 g/mol. Its IUPAC name is 4-chloro-2-[[(4-fluorophenyl)hydrazinylidene]methyl]-6-nitrophenol.

Molecular Properties

Compound Name4-chloro-2-[[(4-fluorophenyl)hydrazinylidene]methyl]-6-nitrophenol
PubChem CID4615262
Molecular FormulaC13H9ClFN3O3
Molecular Weight309.68 g/mol
Exact Mass309.03
IUPAC Name4-chloro-2-[[(4-fluorophenyl)hydrazinylidene]methyl]-6-nitrophenol
SMILESO=[N+]([O-])c1cc(Cl)cc(C=NNc2ccc(F)cc2)c1O
InChIInChI=1S/C13H9ClFN3O3/c14-9-5-8(13(19)12(6-9)18(20)21)7-16-17-11-3-1-10(15)2-4-11/h1-7,17,19H
InChIKeyQVVPNSJJIOKTOW-UHFFFAOYSA-N
XLogP3.54
TPSA87.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.68
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'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 4-chloro-2-[[(4-fluorophenyl)hydrazinylidene]methyl]-6-nitrophenol?
The IUPAC name of 4-chloro-2-[[(4-fluorophenyl)hydrazinylidene]methyl]-6-nitrophenol (CID 4615262) is 4-chloro-2-[[(4-fluorophenyl)hydrazinylidene]methyl]-6-nitrophenol.
What is the SMILES notation for 4-chloro-2-[[(4-fluorophenyl)hydrazinylidene]methyl]-6-nitrophenol?
The canonical SMILES for 4-chloro-2-[[(4-fluorophenyl)hydrazinylidene]methyl]-6-nitrophenol is O=[N+]([O-])c1cc(Cl)cc(C=NNc2ccc(F)cc2)c1O.
What is the InChIKey of 4-chloro-2-[[(4-fluorophenyl)hydrazinylidene]methyl]-6-nitrophenol?
The InChIKey is QVVPNSJJIOKTOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFN3O3/c14-9-5-8(13(19)12(6-9)18(20)21)7-16-17-11-3-1-10(15)2-4-11/h1-7,17,19H.
What are the key properties of 4-chloro-2-[[(4-fluorophenyl)hydrazinylidene]methyl]-6-nitrophenol?
4-chloro-2-[[(4-fluorophenyl)hydrazinylidene]methyl]-6-nitrophenol has a molecular weight of 309.68 g/mol, XLogP of 3.54, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[[(4-fluorophenyl)hydrazinylidene]methyl]-6-nitrophenol is sourced from PubChem (CID 4615262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).