4-[(2Z)-2-[(3,5-dichloro-2-hydroxyphenyl)methylidene]hydrazinyl]-5-nitrobenzene-1,2-dicarbonitrile

C15H7Cl2N5O3 — CID 136678563

IUPAC4-[(2Z)-2-[(3,5-dichloro-2-hydroxyphenyl)methylidene]hydrazinyl]-5-nitrobenzene-1,2-dicarbonitrile
SMILESN#Cc1cc(N/N=C\c2cc(Cl)cc(Cl)c2O)c([N+](=O)[O-])cc1C#N
InChIInChI=1S/C15H7Cl2N5O3/c16-11-1-10(15(23)12(17)4-11)7-20-21-13-2-8(5-18)9(6-19)3-14(13)22(24)25/h1-4,7,21,23H/b20-7-
InChIKeyZCJNUWWONCJDCL-SCDVKCJHSA-N
MW376.16 g/mol
LogP3.80
Rot. Bonds4

About 4-[(2Z)-2-[(3,5-dichloro-2-hydroxyphenyl)methylidene]hydrazinyl]-5-nitrobenzene-1,2-dicarbonitrile

4-[(2Z)-2-[(3,5-dichloro-2-hydroxyphenyl)methylidene]hydrazinyl]-5-nitrobenzene-1,2-dicarbonitrile (PubChem CID 136678563) has the molecular formula C15H7Cl2N5O3 and a molecular weight of 376.16 g/mol. Its IUPAC name is 4-[(2Z)-2-[(3,5-dichloro-2-hydroxyphenyl)methylidene]hydrazinyl]-5-nitrobenzene-1,2-dicarbonitrile.

Molecular Properties

Compound Name4-[(2Z)-2-[(3,5-dichloro-2-hydroxyphenyl)methylidene]hydrazinyl]-5-nitrobenzene-1,2-dicarbonitrile
PubChem CID136678563
Molecular FormulaC15H7Cl2N5O3
Molecular Weight376.16 g/mol
Exact Mass374.99
IUPAC Name4-[(2Z)-2-[(3,5-dichloro-2-hydroxyphenyl)methylidene]hydrazinyl]-5-nitrobenzene-1,2-dicarbonitrile
SMILESN#Cc1cc(N/N=C\c2cc(Cl)cc(Cl)c2O)c([N+](=O)[O-])cc1C#N
InChIInChI=1S/C15H7Cl2N5O3/c16-11-1-10(15(23)12(17)4-11)7-20-21-13-2-8(5-18)9(6-19)3-14(13)22(24)25/h1-4,7,21,23H/b20-7-
InChIKeyZCJNUWWONCJDCL-SCDVKCJHSA-N
XLogP3.80
TPSA135.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.16
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

2,4-dichloro-6-[[(2,4-dinitrophenyl)hydrazinylidene]methyl]phenol
CID 5173716
2,4-dichloro-6-[[(2-nitrophenyl)hydrazinylidene]methyl]phenol
CID 3698846
2,4-dichloro-6-[(E)-[[5-(4-nitrophenyl)pyrimidin-2-yl]hydrazinylidene]methyl]phenol
CID 135588478
N-[(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]-2-cyanoacetamide
CID 3254960
4-chloro-2-nitro-6-[[[2-nitro-4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol
CID 3298245
4-chloro-2-[(E)-[(4-chlorophenyl)hydrazinylidene]methyl]-6-nitrophenol;hydrochloride
CID 135760746
4-[(2E)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-5-nitrobenzene-1,2-dicarbonitrile
CID 135567716
4-chloro-2-nitro-6-[(phenylhydrazinylidene)methyl]phenol
CID 4071998
N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-(2,4-dinitrophenyl)acetamide
CID 137118534
2,4-dichloro-6-[(4-chloro-3-nitrophenyl)iminomethyl]phenol
CID 631330
4-chloro-2-[[(4-methylphenyl)hydrazinylidene]methyl]-6-nitrophenol
CID 4195262
5-chloro-4-[(2E)-2-[(3,5-dichloro-2-hydroxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
CID 135689804

Frequently Asked Questions

What is the IUPAC name of 4-[(2Z)-2-[(3,5-dichloro-2-hydroxyphenyl)methylidene]hydrazinyl]-5-nitrobenzene-1,2-dicarbonitrile?
The IUPAC name of 4-[(2Z)-2-[(3,5-dichloro-2-hydroxyphenyl)methylidene]hydrazinyl]-5-nitrobenzene-1,2-dicarbonitrile (CID 136678563) is 4-[(2Z)-2-[(3,5-dichloro-2-hydroxyphenyl)methylidene]hydrazinyl]-5-nitrobenzene-1,2-dicarbonitrile.
What is the SMILES notation for 4-[(2Z)-2-[(3,5-dichloro-2-hydroxyphenyl)methylidene]hydrazinyl]-5-nitrobenzene-1,2-dicarbonitrile?
The canonical SMILES for 4-[(2Z)-2-[(3,5-dichloro-2-hydroxyphenyl)methylidene]hydrazinyl]-5-nitrobenzene-1,2-dicarbonitrile is N#Cc1cc(N/N=C\c2cc(Cl)cc(Cl)c2O)c([N+](=O)[O-])cc1C#N.
What is the InChIKey of 4-[(2Z)-2-[(3,5-dichloro-2-hydroxyphenyl)methylidene]hydrazinyl]-5-nitrobenzene-1,2-dicarbonitrile?
The InChIKey is ZCJNUWWONCJDCL-SCDVKCJHSA-N. The full InChI is InChI=1S/C15H7Cl2N5O3/c16-11-1-10(15(23)12(17)4-11)7-20-21-13-2-8(5-18)9(6-19)3-14(13)22(24)25/h1-4,7,21,23H/b20-7-.
What are the key properties of 4-[(2Z)-2-[(3,5-dichloro-2-hydroxyphenyl)methylidene]hydrazinyl]-5-nitrobenzene-1,2-dicarbonitrile?
4-[(2Z)-2-[(3,5-dichloro-2-hydroxyphenyl)methylidene]hydrazinyl]-5-nitrobenzene-1,2-dicarbonitrile has a molecular weight of 376.16 g/mol, XLogP of 3.80, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2Z)-2-[(3,5-dichloro-2-hydroxyphenyl)methylidene]hydrazinyl]-5-nitrobenzene-1,2-dicarbonitrile is sourced from PubChem (CID 136678563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).