4-[[(3-chloro-4-methylphenyl)hydrazinylidene]methyl]-2-nitrophenol

C14H12ClN3O3 — CID 136704830

IUPAC4-[[(3-chloro-4-methylphenyl)hydrazinylidene]methyl]-2-nitrophenol
SMILESCc1ccc(NN=Cc2ccc(O)c([N+](=O)[O-])c2)cc1Cl
InChIInChI=1S/C14H12ClN3O3/c1-9-2-4-11(7-12(9)15)17-16-8-10-3-5-14(19)13(6-10)18(20)21/h2-8,17,19H,1H3
InChIKeyUCSFMMLDKKAOCJ-UHFFFAOYSA-N
MW305.72 g/mol
LogP3.71
Rot. Bonds4

About 4-[[(3-chloro-4-methylphenyl)hydrazinylidene]methyl]-2-nitrophenol

4-[[(3-chloro-4-methylphenyl)hydrazinylidene]methyl]-2-nitrophenol (PubChem CID 136704830) has the molecular formula C14H12ClN3O3 and a molecular weight of 305.72 g/mol. Its IUPAC name is 4-[[(3-chloro-4-methylphenyl)hydrazinylidene]methyl]-2-nitrophenol.

Molecular Properties

Compound Name4-[[(3-chloro-4-methylphenyl)hydrazinylidene]methyl]-2-nitrophenol
PubChem CID136704830
Molecular FormulaC14H12ClN3O3
Molecular Weight305.72 g/mol
Exact Mass305.06
IUPAC Name4-[[(3-chloro-4-methylphenyl)hydrazinylidene]methyl]-2-nitrophenol
SMILESCc1ccc(NN=Cc2ccc(O)c([N+](=O)[O-])c2)cc1Cl
InChIInChI=1S/C14H12ClN3O3/c1-9-2-4-11(7-12(9)15)17-16-8-10-3-5-14(19)13(6-10)18(20)21/h2-8,17,19H,1H3
InChIKeyUCSFMMLDKKAOCJ-UHFFFAOYSA-N
XLogP3.71
TPSA87.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.72
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', '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

3-chloro-N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]-4-methylaniline
CID 18269387
N-(3-chloro-4-methylphenyl)-N'-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]oxamide
CID 135813949
4-[(3-chloro-4-methylphenyl)iminomethyl]-2-nitrophenol
CID 137100120
4-[(E)-[(3-chloro-4-methylphenyl)hydrazinylidene]methyl]-2-methoxy-6-nitrophenol
CID 135622238
3-chloro-4-methyl-N-[(E)-(3-nitro-4-propoxyphenyl)methylideneamino]aniline
CID 110506546
4-[(Z)-[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]methyl]-2-nitrophenol
CID 135583629
4-[(E)-[(3-chloro-4-methylphenyl)hydrazinylidene]methyl]-2-ethoxyphenol
CID 135676115
4-[[(3-chloro-4-methylphenyl)hydrazinylidene]methyl]-2-ethoxyphenol
CID 3407751
3-methyl-N-[(Z)-(4-methyl-3-nitrophenyl)methylideneamino]aniline
CID 9060472
3-chloro-N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]-4-methoxyaniline
CID 110505397
3-chloro-N-[(E)-(4-ethoxy-3-methoxy-5-nitrophenyl)methylideneamino]-4-methylaniline
CID 110506514
2-chloro-N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]benzamide
CID 135696942

Frequently Asked Questions

What is the IUPAC name of 4-[[(3-chloro-4-methylphenyl)hydrazinylidene]methyl]-2-nitrophenol?
The IUPAC name of 4-[[(3-chloro-4-methylphenyl)hydrazinylidene]methyl]-2-nitrophenol (CID 136704830) is 4-[[(3-chloro-4-methylphenyl)hydrazinylidene]methyl]-2-nitrophenol.
What is the SMILES notation for 4-[[(3-chloro-4-methylphenyl)hydrazinylidene]methyl]-2-nitrophenol?
The canonical SMILES for 4-[[(3-chloro-4-methylphenyl)hydrazinylidene]methyl]-2-nitrophenol is Cc1ccc(NN=Cc2ccc(O)c([N+](=O)[O-])c2)cc1Cl.
What is the InChIKey of 4-[[(3-chloro-4-methylphenyl)hydrazinylidene]methyl]-2-nitrophenol?
The InChIKey is UCSFMMLDKKAOCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O3/c1-9-2-4-11(7-12(9)15)17-16-8-10-3-5-14(19)13(6-10)18(20)21/h2-8,17,19H,1H3.
What are the key properties of 4-[[(3-chloro-4-methylphenyl)hydrazinylidene]methyl]-2-nitrophenol?
4-[[(3-chloro-4-methylphenyl)hydrazinylidene]methyl]-2-nitrophenol has a molecular weight of 305.72 g/mol, XLogP of 3.71, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3-chloro-4-methylphenyl)hydrazinylidene]methyl]-2-nitrophenol is sourced from PubChem (CID 136704830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).