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

C13H8ClFN3O3- — CID 7419916

IUPAC4-chloro-2-[(Z)-[(4-fluorophenyl)hydrazinylidene]methyl]-6-nitrophenolate
SMILESO=[N+]([O-])c1cc(Cl)cc(/C=N\Nc2ccc(F)cc2)c1[O-]
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/p-1/b16-7-
InChIKeyQVVPNSJJIOKTOW-APSNUPSMSA-M
MW308.68 g/mol
LogP2.91
Rot. Bonds4

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

4-chloro-2-[(Z)-[(4-fluorophenyl)hydrazinylidene]methyl]-6-nitrophenolate (PubChem CID 7419916) has the molecular formula C13H8ClFN3O3- and a molecular weight of 308.68 g/mol. Its IUPAC name is 4-chloro-2-[(Z)-[(4-fluorophenyl)hydrazinylidene]methyl]-6-nitrophenolate.

Molecular Properties

Compound Name4-chloro-2-[(Z)-[(4-fluorophenyl)hydrazinylidene]methyl]-6-nitrophenolate
PubChem CID7419916
Molecular FormulaC13H8ClFN3O3-
Molecular Weight308.68 g/mol
Exact Mass308.02
IUPAC Name4-chloro-2-[(Z)-[(4-fluorophenyl)hydrazinylidene]methyl]-6-nitrophenolate
SMILESO=[N+]([O-])c1cc(Cl)cc(/C=N\Nc2ccc(F)cc2)c1[O-]
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/p-1/b16-7-
InChIKeyQVVPNSJJIOKTOW-APSNUPSMSA-M
XLogP2.91
TPSA90.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.68
LogP ≤ 52.91
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 4-chloro-2-[(Z)-[(4-fluorophenyl)hydrazinylidene]methyl]-6-nitrophenolate?
The IUPAC name of 4-chloro-2-[(Z)-[(4-fluorophenyl)hydrazinylidene]methyl]-6-nitrophenolate (CID 7419916) is 4-chloro-2-[(Z)-[(4-fluorophenyl)hydrazinylidene]methyl]-6-nitrophenolate.
What is the SMILES notation for 4-chloro-2-[(Z)-[(4-fluorophenyl)hydrazinylidene]methyl]-6-nitrophenolate?
The canonical SMILES for 4-chloro-2-[(Z)-[(4-fluorophenyl)hydrazinylidene]methyl]-6-nitrophenolate is O=[N+]([O-])c1cc(Cl)cc(/C=N\Nc2ccc(F)cc2)c1[O-].
What is the InChIKey of 4-chloro-2-[(Z)-[(4-fluorophenyl)hydrazinylidene]methyl]-6-nitrophenolate?
The InChIKey is QVVPNSJJIOKTOW-APSNUPSMSA-M. 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/p-1/b16-7-.
What are the key properties of 4-chloro-2-[(Z)-[(4-fluorophenyl)hydrazinylidene]methyl]-6-nitrophenolate?
4-chloro-2-[(Z)-[(4-fluorophenyl)hydrazinylidene]methyl]-6-nitrophenolate has a molecular weight of 308.68 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(Z)-[(4-fluorophenyl)hydrazinylidene]methyl]-6-nitrophenolate is sourced from PubChem (CID 7419916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).