4-chloro-2-nitro-6-[(Z)-[[3-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenolate

C14H8ClF3N3O3- — CID 7416494

IUPAC4-chloro-2-nitro-6-[(Z)-[[3-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenolate
SMILESO=[N+]([O-])c1cc(Cl)cc(/C=N\Nc2cccc(C(F)(F)F)c2)c1[O-]
InChIInChI=1S/C14H9ClF3N3O3/c15-10-4-8(13(22)12(6-10)21(23)24)7-19-20-11-3-1-2-9(5-11)14(16,17)18/h1-7,20,22H/p-1/b19-7-
InChIKeyAXPWPPVNRKXSDS-GXHLCREISA-M
MW358.68 g/mol
LogP3.79
Rot. Bonds4

About 4-chloro-2-nitro-6-[(Z)-[[3-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenolate

4-chloro-2-nitro-6-[(Z)-[[3-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenolate (PubChem CID 7416494) has the molecular formula C14H8ClF3N3O3- and a molecular weight of 358.68 g/mol. Its IUPAC name is 4-chloro-2-nitro-6-[(Z)-[[3-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenolate.

Molecular Properties

Compound Name4-chloro-2-nitro-6-[(Z)-[[3-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenolate
PubChem CID7416494
Molecular FormulaC14H8ClF3N3O3-
Molecular Weight358.68 g/mol
Exact Mass358.02
IUPAC Name4-chloro-2-nitro-6-[(Z)-[[3-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenolate
SMILESO=[N+]([O-])c1cc(Cl)cc(/C=N\Nc2cccc(C(F)(F)F)c2)c1[O-]
InChIInChI=1S/C14H9ClF3N3O3/c15-10-4-8(13(22)12(6-10)21(23)24)7-19-20-11-3-1-2-9(5-11)14(16,17)18/h1-7,20,22H/p-1/b19-7-
InChIKeyAXPWPPVNRKXSDS-GXHLCREISA-M
XLogP3.79
TPSA90.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.68
LogP ≤ 53.79
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-nitro-6-[(Z)-[[3-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenolate?
The IUPAC name of 4-chloro-2-nitro-6-[(Z)-[[3-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenolate (CID 7416494) is 4-chloro-2-nitro-6-[(Z)-[[3-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenolate.
What is the SMILES notation for 4-chloro-2-nitro-6-[(Z)-[[3-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenolate?
The canonical SMILES for 4-chloro-2-nitro-6-[(Z)-[[3-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenolate is O=[N+]([O-])c1cc(Cl)cc(/C=N\Nc2cccc(C(F)(F)F)c2)c1[O-].
What is the InChIKey of 4-chloro-2-nitro-6-[(Z)-[[3-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenolate?
The InChIKey is AXPWPPVNRKXSDS-GXHLCREISA-M. The full InChI is InChI=1S/C14H9ClF3N3O3/c15-10-4-8(13(22)12(6-10)21(23)24)7-19-20-11-3-1-2-9(5-11)14(16,17)18/h1-7,20,22H/p-1/b19-7-.
What are the key properties of 4-chloro-2-nitro-6-[(Z)-[[3-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenolate?
4-chloro-2-nitro-6-[(Z)-[[3-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenolate has a molecular weight of 358.68 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-nitro-6-[(Z)-[[3-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenolate is sourced from PubChem (CID 7416494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).