4-chloro-2-nitro-6-[[[2-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol

C14H9ClF3N3O3 — CID 4107927

IUPAC4-chloro-2-nitro-6-[[[2-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol
SMILESO=[N+]([O-])c1cc(Cl)cc(C=NNc2ccccc2C(F)(F)F)c1O
InChIInChI=1S/C14H9ClF3N3O3/c15-9-5-8(13(22)12(6-9)21(23)24)7-19-20-11-4-2-1-3-10(11)14(16,17)18/h1-7,20,22H
InChIKeyKQQNYTXSNCANJT-UHFFFAOYSA-N
MW359.69 g/mol
LogP4.42
Rot. Bonds4

About 4-chloro-2-nitro-6-[[[2-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol

4-chloro-2-nitro-6-[[[2-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol (PubChem CID 4107927) has the molecular formula C14H9ClF3N3O3 and a molecular weight of 359.69 g/mol. Its IUPAC name is 4-chloro-2-nitro-6-[[[2-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name4-chloro-2-nitro-6-[[[2-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol
PubChem CID4107927
Molecular FormulaC14H9ClF3N3O3
Molecular Weight359.69 g/mol
Exact Mass359.03
IUPAC Name4-chloro-2-nitro-6-[[[2-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol
SMILESO=[N+]([O-])c1cc(Cl)cc(C=NNc2ccccc2C(F)(F)F)c1O
InChIInChI=1S/C14H9ClF3N3O3/c15-9-5-8(13(22)12(6-9)21(23)24)7-19-20-11-4-2-1-3-10(11)14(16,17)18/h1-7,20,22H
InChIKeyKQQNYTXSNCANJT-UHFFFAOYSA-N
XLogP4.42
TPSA87.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.69
LogP ≤ 54.42
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-nitro-6-[[[2-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol?
The IUPAC name of 4-chloro-2-nitro-6-[[[2-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol (CID 4107927) is 4-chloro-2-nitro-6-[[[2-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol.
What is the SMILES notation for 4-chloro-2-nitro-6-[[[2-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol?
The canonical SMILES for 4-chloro-2-nitro-6-[[[2-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol is O=[N+]([O-])c1cc(Cl)cc(C=NNc2ccccc2C(F)(F)F)c1O.
What is the InChIKey of 4-chloro-2-nitro-6-[[[2-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol?
The InChIKey is KQQNYTXSNCANJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF3N3O3/c15-9-5-8(13(22)12(6-9)21(23)24)7-19-20-11-4-2-1-3-10(11)14(16,17)18/h1-7,20,22H.
What are the key properties of 4-chloro-2-nitro-6-[[[2-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol?
4-chloro-2-nitro-6-[[[2-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol has a molecular weight of 359.69 g/mol, XLogP of 4.42, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-nitro-6-[[[2-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol is sourced from PubChem (CID 4107927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).