2,4-dichloro-6-[[(2-nitrophenyl)hydrazinylidene]methyl]phenol

C13H9Cl2N3O3 — CID 3698846

IUPAC2,4-dichloro-6-[[(2-nitrophenyl)hydrazinylidene]methyl]phenol
SMILESO=[N+]([O-])c1ccccc1NN=Cc1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C13H9Cl2N3O3/c14-9-5-8(13(19)10(15)6-9)7-16-17-11-3-1-2-4-12(11)18(20)21/h1-7,17,19H
InChIKeyJOBBKXSYXMCNSV-UHFFFAOYSA-N
MW326.14 g/mol
LogP4.05
Rot. Bonds4

About 2,4-dichloro-6-[[(2-nitrophenyl)hydrazinylidene]methyl]phenol

2,4-dichloro-6-[[(2-nitrophenyl)hydrazinylidene]methyl]phenol (PubChem CID 3698846) has the molecular formula C13H9Cl2N3O3 and a molecular weight of 326.14 g/mol. Its IUPAC name is 2,4-dichloro-6-[[(2-nitrophenyl)hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name2,4-dichloro-6-[[(2-nitrophenyl)hydrazinylidene]methyl]phenol
PubChem CID3698846
Molecular FormulaC13H9Cl2N3O3
Molecular Weight326.14 g/mol
Exact Mass325.00
IUPAC Name2,4-dichloro-6-[[(2-nitrophenyl)hydrazinylidene]methyl]phenol
SMILESO=[N+]([O-])c1ccccc1NN=Cc1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C13H9Cl2N3O3/c14-9-5-8(13(19)10(15)6-9)7-16-17-11-3-1-2-4-12(11)18(20)21/h1-7,17,19H
InChIKeyJOBBKXSYXMCNSV-UHFFFAOYSA-N
XLogP4.05
TPSA87.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.14
LogP ≤ 54.05
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

2,4-dichloro-6-[[(2,4-dinitrophenyl)hydrazinylidene]methyl]phenol
CID 5173716
4-chloro-2-nitro-6-[(Z)-[(2-nitrophenyl)hydrazinylidene]methyl]phenolate
CID 7415322
4-[(2Z)-2-[(3,5-dichloro-2-hydroxyphenyl)methylidene]hydrazinyl]-5-nitrobenzene-1,2-dicarbonitrile
CID 136678563
4-chloro-2-nitro-6-[(phenylhydrazinylidene)methyl]phenol
CID 4071998
4-chloro-2-nitro-6-[[[2-nitro-4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol
CID 3298245
4-chloro-2-nitro-6-[(quinolin-8-ylhydrazinylidene)methyl]phenol
CID 3097115
4-chloro-2-nitro-6-[(Z)-(quinolin-8-ylhydrazinylidene)methyl]phenol
CID 135763883
4-chloro-2-[(E)-[(4-chlorophenyl)hydrazinylidene]methyl]-6-nitrophenol;hydrochloride
CID 135760746
4-chloro-2-[(E)-[(3-chlorophenyl)hydrazinylidene]methyl]-6-nitrophenol
CID 135615920
2,4-dichloro-6-[(4-chloro-3-nitrophenyl)iminomethyl]phenol
CID 631330
4-chloro-2-[[(4-methylphenyl)hydrazinylidene]methyl]-6-nitrophenol
CID 4195262
N-[(Z)-(5-bromo-2-fluorophenyl)methylideneamino]-2-nitroaniline
CID 9059022

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-[[(2-nitrophenyl)hydrazinylidene]methyl]phenol?
The IUPAC name of 2,4-dichloro-6-[[(2-nitrophenyl)hydrazinylidene]methyl]phenol (CID 3698846) is 2,4-dichloro-6-[[(2-nitrophenyl)hydrazinylidene]methyl]phenol.
What is the SMILES notation for 2,4-dichloro-6-[[(2-nitrophenyl)hydrazinylidene]methyl]phenol?
The canonical SMILES for 2,4-dichloro-6-[[(2-nitrophenyl)hydrazinylidene]methyl]phenol is O=[N+]([O-])c1ccccc1NN=Cc1cc(Cl)cc(Cl)c1O.
What is the InChIKey of 2,4-dichloro-6-[[(2-nitrophenyl)hydrazinylidene]methyl]phenol?
The InChIKey is JOBBKXSYXMCNSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2N3O3/c14-9-5-8(13(19)10(15)6-9)7-16-17-11-3-1-2-4-12(11)18(20)21/h1-7,17,19H.
What are the key properties of 2,4-dichloro-6-[[(2-nitrophenyl)hydrazinylidene]methyl]phenol?
2,4-dichloro-6-[[(2-nitrophenyl)hydrazinylidene]methyl]phenol has a molecular weight of 326.14 g/mol, XLogP of 4.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-[[(2-nitrophenyl)hydrazinylidene]methyl]phenol is sourced from PubChem (CID 3698846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).