2-[(E)-(tert-butylhydrazinylidene)methyl]-4-chloro-6-nitrophenol;hydrochloride

C11H15Cl2N3O3 — CID 135401300

IUPAC2-[(E)-(tert-butylhydrazinylidene)methyl]-4-chloro-6-nitrophenol;hydrochloride
SMILESCC(C)(C)N/N=C/c1cc(Cl)cc([N+](=O)[O-])c1O.Cl
InChIInChI=1S/C11H14ClN3O3.ClH/c1-11(2,3)14-13-6-7-4-8(12)5-9(10(7)16)15(17)18;/h4-6,14,16H,1-3H3;1H/b13-6+;
InChIKeyZCYVOJHUYUEUEW-AWFSDRIXSA-N
MW308.17 g/mol
LogP3.10
Rot. Bonds3

About 2-[(E)-(tert-butylhydrazinylidene)methyl]-4-chloro-6-nitrophenol;hydrochloride

2-[(E)-(tert-butylhydrazinylidene)methyl]-4-chloro-6-nitrophenol;hydrochloride (PubChem CID 135401300) has the molecular formula C11H15Cl2N3O3 and a molecular weight of 308.17 g/mol. Its IUPAC name is 2-[(E)-(tert-butylhydrazinylidene)methyl]-4-chloro-6-nitrophenol;hydrochloride.

Molecular Properties

Compound Name2-[(E)-(tert-butylhydrazinylidene)methyl]-4-chloro-6-nitrophenol;hydrochloride
PubChem CID135401300
Molecular FormulaC11H15Cl2N3O3
Molecular Weight308.17 g/mol
Exact Mass307.05
IUPAC Name2-[(E)-(tert-butylhydrazinylidene)methyl]-4-chloro-6-nitrophenol;hydrochloride
SMILESCC(C)(C)N/N=C/c1cc(Cl)cc([N+](=O)[O-])c1O.Cl
InChIInChI=1S/C11H14ClN3O3.ClH/c1-11(2,3)14-13-6-7-4-8(12)5-9(10(7)16)15(17)18;/h4-6,14,16H,1-3H3;1H/b13-6+;
InChIKeyZCYVOJHUYUEUEW-AWFSDRIXSA-N
XLogP3.10
TPSA87.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.17
LogP ≤ 53.10
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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Related Compounds

4-Chloro-2-[[1-(dimethylamino)cyclohexyl]methyliminomethyl]-6-nitrophenol
CID 4857478
N-[(E)-(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]cyclopropanecarboxamide
CID 135615039
4-chloro-2-[(E)-(dimethylhydrazinylidene)methyl]-6-nitrophenol
CID 135401304
Phenol, 4-chloro-2-ethyl-6-nitro-
CID 3041039
4-chloro-2-[(E)-[[2-chloro-5-(trifluoromethyl)phenyl]hydrazinylidene]methyl]-6-nitrophenol
CID 135717234
4-Chloro-2-[(E)-[(4-fluorophenyl)imino]methyl]-6-nitrophenol
CID 689458
5-Chloro-2-hydroxybenzaldehyde (4-nitrophenyl)hydrazone
CID 135403132
4-Chloro-2-{[(3-chloro-4-methylphenyl)imino]methyl}-6-nitrophenol
CID 3529933
4-Chloro-2-[(E)-[(2-hydroxy-4-methylphenyl)imino]methyl]-6-nitrophenol
CID 4089797
4-Chloro-2-{[(2,4-dimethylphenyl)imino]methyl}-6-nitrophenol
CID 689270
4-Chloro-2-[(E)-[(3-methylphenyl)imino]methyl]-6-nitrophenol
CID 689838
4-Chloro-2-[(E)-[(4-methylphenyl)imino]methyl]-6-nitrophenol
CID 690140

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-(tert-butylhydrazinylidene)methyl]-4-chloro-6-nitrophenol;hydrochloride?
The IUPAC name of 2-[(E)-(tert-butylhydrazinylidene)methyl]-4-chloro-6-nitrophenol;hydrochloride (CID 135401300) is 2-[(E)-(tert-butylhydrazinylidene)methyl]-4-chloro-6-nitrophenol;hydrochloride.
What is the SMILES notation for 2-[(E)-(tert-butylhydrazinylidene)methyl]-4-chloro-6-nitrophenol;hydrochloride?
The canonical SMILES for 2-[(E)-(tert-butylhydrazinylidene)methyl]-4-chloro-6-nitrophenol;hydrochloride is CC(C)(C)N/N=C/c1cc(Cl)cc([N+](=O)[O-])c1O.Cl.
What is the InChIKey of 2-[(E)-(tert-butylhydrazinylidene)methyl]-4-chloro-6-nitrophenol;hydrochloride?
The InChIKey is ZCYVOJHUYUEUEW-AWFSDRIXSA-N. The full InChI is InChI=1S/C11H14ClN3O3.ClH/c1-11(2,3)14-13-6-7-4-8(12)5-9(10(7)16)15(17)18;/h4-6,14,16H,1-3H3;1H/b13-6+;.
What are the key properties of 2-[(E)-(tert-butylhydrazinylidene)methyl]-4-chloro-6-nitrophenol;hydrochloride?
2-[(E)-(tert-butylhydrazinylidene)methyl]-4-chloro-6-nitrophenol;hydrochloride has a molecular weight of 308.17 g/mol, XLogP of 3.10, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-(tert-butylhydrazinylidene)methyl]-4-chloro-6-nitrophenol;hydrochloride is sourced from PubChem (CID 135401300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).