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

C15H8ClF3N3O4- — CID 7275701

IUPAC4-chloro-2-nitro-6-[(Z)-[[3-(trifluoromethyl)benzoyl]hydrazinylidene]methyl]phenolate
SMILESO=C(N/N=C\c1cc(Cl)cc([N+](=O)[O-])c1[O-])c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H9ClF3N3O4/c16-11-5-9(13(23)12(6-11)22(25)26)7-20-21-14(24)8-2-1-3-10(4-8)15(17,18)19/h1-7,23H,(H,21,24)/p-1/b20-7-
InChIKeyVTTULUFWGCYNGU-SCDVKCJHSA-M
MW386.69 g/mol
LogP3.10
Rot. Bonds4

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

4-chloro-2-nitro-6-[(Z)-[[3-(trifluoromethyl)benzoyl]hydrazinylidene]methyl]phenolate (PubChem CID 7275701) has the molecular formula C15H8ClF3N3O4- and a molecular weight of 386.69 g/mol. Its IUPAC name is 4-chloro-2-nitro-6-[(Z)-[[3-(trifluoromethyl)benzoyl]hydrazinylidene]methyl]phenolate.

Molecular Properties

Compound Name4-chloro-2-nitro-6-[(Z)-[[3-(trifluoromethyl)benzoyl]hydrazinylidene]methyl]phenolate
PubChem CID7275701
Molecular FormulaC15H8ClF3N3O4-
Molecular Weight386.69 g/mol
Exact Mass386.02
IUPAC Name4-chloro-2-nitro-6-[(Z)-[[3-(trifluoromethyl)benzoyl]hydrazinylidene]methyl]phenolate
SMILESO=C(N/N=C\c1cc(Cl)cc([N+](=O)[O-])c1[O-])c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H9ClF3N3O4/c16-11-5-9(13(23)12(6-11)22(25)26)7-20-21-14(24)8-2-1-3-10(4-8)15(17,18)19/h1-7,23H,(H,21,24)/p-1/b20-7-
InChIKeyVTTULUFWGCYNGU-SCDVKCJHSA-M
XLogP3.10
TPSA107.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.69
LogP ≤ 53.10
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)benzoyl]hydrazinylidene]methyl]phenolate?
The IUPAC name of 4-chloro-2-nitro-6-[(Z)-[[3-(trifluoromethyl)benzoyl]hydrazinylidene]methyl]phenolate (CID 7275701) is 4-chloro-2-nitro-6-[(Z)-[[3-(trifluoromethyl)benzoyl]hydrazinylidene]methyl]phenolate.
What is the SMILES notation for 4-chloro-2-nitro-6-[(Z)-[[3-(trifluoromethyl)benzoyl]hydrazinylidene]methyl]phenolate?
The canonical SMILES for 4-chloro-2-nitro-6-[(Z)-[[3-(trifluoromethyl)benzoyl]hydrazinylidene]methyl]phenolate is O=C(N/N=C\c1cc(Cl)cc([N+](=O)[O-])c1[O-])c1cccc(C(F)(F)F)c1.
What is the InChIKey of 4-chloro-2-nitro-6-[(Z)-[[3-(trifluoromethyl)benzoyl]hydrazinylidene]methyl]phenolate?
The InChIKey is VTTULUFWGCYNGU-SCDVKCJHSA-M. The full InChI is InChI=1S/C15H9ClF3N3O4/c16-11-5-9(13(23)12(6-11)22(25)26)7-20-21-14(24)8-2-1-3-10(4-8)15(17,18)19/h1-7,23H,(H,21,24)/p-1/b20-7-.
What are the key properties of 4-chloro-2-nitro-6-[(Z)-[[3-(trifluoromethyl)benzoyl]hydrazinylidene]methyl]phenolate?
4-chloro-2-nitro-6-[(Z)-[[3-(trifluoromethyl)benzoyl]hydrazinylidene]methyl]phenolate has a molecular weight of 386.69 g/mol, XLogP of 3.10, 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)benzoyl]hydrazinylidene]methyl]phenolate is sourced from PubChem (CID 7275701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).