4-chloro-2-[(E)-[(4-chlorophenyl)hydrazinylidene]methyl]-6-nitrophenol;hydrochloride

C13H10Cl3N3O3 — CID 135760746

IUPAC4-chloro-2-[(E)-[(4-chlorophenyl)hydrazinylidene]methyl]-6-nitrophenol;hydrochloride
SMILESCl.O=[N+]([O-])c1cc(Cl)cc(/C=N/Nc2ccc(Cl)cc2)c1O
InChIInChI=1S/C13H9Cl2N3O3.ClH/c14-9-1-3-11(4-2-9)17-16-7-8-5-10(15)6-12(13(8)19)18(20)21;/h1-7,17,19H;1H/b16-7+;
InChIKeyXNVLTTCKYWYLCS-OYXUYBEVSA-N
MW362.60 g/mol
LogP4.47
Rot. Bonds4

About 4-chloro-2-[(E)-[(4-chlorophenyl)hydrazinylidene]methyl]-6-nitrophenol;hydrochloride

4-chloro-2-[(E)-[(4-chlorophenyl)hydrazinylidene]methyl]-6-nitrophenol;hydrochloride (PubChem CID 135760746) has the molecular formula C13H10Cl3N3O3 and a molecular weight of 362.60 g/mol. Its IUPAC name is 4-chloro-2-[(E)-[(4-chlorophenyl)hydrazinylidene]methyl]-6-nitrophenol;hydrochloride.

Molecular Properties

Compound Name4-chloro-2-[(E)-[(4-chlorophenyl)hydrazinylidene]methyl]-6-nitrophenol;hydrochloride
PubChem CID135760746
Molecular FormulaC13H10Cl3N3O3
Molecular Weight362.60 g/mol
Exact Mass360.98
IUPAC Name4-chloro-2-[(E)-[(4-chlorophenyl)hydrazinylidene]methyl]-6-nitrophenol;hydrochloride
SMILESCl.O=[N+]([O-])c1cc(Cl)cc(/C=N/Nc2ccc(Cl)cc2)c1O
InChIInChI=1S/C13H9Cl2N3O3.ClH/c14-9-1-3-11(4-2-9)17-16-7-8-5-10(15)6-12(13(8)19)18(20)21;/h1-7,17,19H;1H/b16-7+;
InChIKeyXNVLTTCKYWYLCS-OYXUYBEVSA-N
XLogP4.47
TPSA87.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.60
LogP ≤ 54.47
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-nitro-6-[(phenylhydrazinylidene)methyl]phenol
CID 4071998
4-chloro-2-[[(4-methylphenyl)hydrazinylidene]methyl]-6-nitrophenol
CID 4195262
4-chloro-2-[(E)-[(3-chlorophenyl)hydrazinylidene]methyl]-6-nitrophenol
CID 135615920
4-[(4-chlorobenzoyl)amino]-N-[(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]benzamide
CID 171135932
2,4-dinitro-6-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]phenol
CID 136886764
4-chloro-2-nitro-6-[[[2-nitro-4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol
CID 3298245
4-chloro-2-[(E)-[(7-chloroquinolin-4-yl)hydrazinylidene]methyl]-6-nitrophenol
CID 135608147
N-[(E)-(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]-2-(4-chlorophenoxy)acetamide
CID 135578991
N-[(Z)-(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]-2-(4-chlorophenoxy)acetamide
CID 135783800
1-[(E)-(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]-3-ethylthiourea
CID 135683723
3-chloro-N-[(E)-(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]benzamide
CID 135784566
4-chloro-2-nitro-6-[(Z)-(quinolin-8-ylhydrazinylidene)methyl]phenol
CID 135763883

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(E)-[(4-chlorophenyl)hydrazinylidene]methyl]-6-nitrophenol;hydrochloride?
The IUPAC name of 4-chloro-2-[(E)-[(4-chlorophenyl)hydrazinylidene]methyl]-6-nitrophenol;hydrochloride (CID 135760746) is 4-chloro-2-[(E)-[(4-chlorophenyl)hydrazinylidene]methyl]-6-nitrophenol;hydrochloride.
What is the SMILES notation for 4-chloro-2-[(E)-[(4-chlorophenyl)hydrazinylidene]methyl]-6-nitrophenol;hydrochloride?
The canonical SMILES for 4-chloro-2-[(E)-[(4-chlorophenyl)hydrazinylidene]methyl]-6-nitrophenol;hydrochloride is Cl.O=[N+]([O-])c1cc(Cl)cc(/C=N/Nc2ccc(Cl)cc2)c1O.
What is the InChIKey of 4-chloro-2-[(E)-[(4-chlorophenyl)hydrazinylidene]methyl]-6-nitrophenol;hydrochloride?
The InChIKey is XNVLTTCKYWYLCS-OYXUYBEVSA-N. The full InChI is InChI=1S/C13H9Cl2N3O3.ClH/c14-9-1-3-11(4-2-9)17-16-7-8-5-10(15)6-12(13(8)19)18(20)21;/h1-7,17,19H;1H/b16-7+;.
What are the key properties of 4-chloro-2-[(E)-[(4-chlorophenyl)hydrazinylidene]methyl]-6-nitrophenol;hydrochloride?
4-chloro-2-[(E)-[(4-chlorophenyl)hydrazinylidene]methyl]-6-nitrophenol;hydrochloride has a molecular weight of 362.60 g/mol, XLogP of 4.47, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(E)-[(4-chlorophenyl)hydrazinylidene]methyl]-6-nitrophenol;hydrochloride is sourced from PubChem (CID 135760746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).