4-[[(3-chlorophenyl)hydrazinylidene]methyl]-2-methoxy-6-nitrophenol

C14H12ClN3O4 — CID 4965646

IUPAC4-[[(3-chlorophenyl)hydrazinylidene]methyl]-2-methoxy-6-nitrophenol
SMILESCOc1cc(C=NNc2cccc(Cl)c2)cc([N+](=O)[O-])c1O
InChIInChI=1S/C14H12ClN3O4/c1-22-13-6-9(5-12(14(13)19)18(20)21)8-16-17-11-4-2-3-10(15)7-11/h2-8,17,19H,1H3
InChIKeyYDPAAMREILQQOX-UHFFFAOYSA-N
MW321.72 g/mol
LogP3.41
Rot. Bonds5

About 4-[[(3-chlorophenyl)hydrazinylidene]methyl]-2-methoxy-6-nitrophenol

4-[[(3-chlorophenyl)hydrazinylidene]methyl]-2-methoxy-6-nitrophenol (PubChem CID 4965646) has the molecular formula C14H12ClN3O4 and a molecular weight of 321.72 g/mol. Its IUPAC name is 4-[[(3-chlorophenyl)hydrazinylidene]methyl]-2-methoxy-6-nitrophenol.

Molecular Properties

Compound Name4-[[(3-chlorophenyl)hydrazinylidene]methyl]-2-methoxy-6-nitrophenol
PubChem CID4965646
Molecular FormulaC14H12ClN3O4
Molecular Weight321.72 g/mol
Exact Mass321.05
IUPAC Name4-[[(3-chlorophenyl)hydrazinylidene]methyl]-2-methoxy-6-nitrophenol
SMILESCOc1cc(C=NNc2cccc(Cl)c2)cc([N+](=O)[O-])c1O
InChIInChI=1S/C14H12ClN3O4/c1-22-13-6-9(5-12(14(13)19)18(20)21)8-16-17-11-4-2-3-10(15)7-11/h2-8,17,19H,1H3
InChIKeyYDPAAMREILQQOX-UHFFFAOYSA-N
XLogP3.41
TPSA96.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.72
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

4-[(Z)-[(3-chlorophenyl)hydrazinylidene]methyl]-2-methoxy-6-nitrophenol
CID 135593942
4-[(E)-[(3-chloro-4-methylphenyl)hydrazinylidene]methyl]-2-methoxy-6-nitrophenol
CID 135622238
3-chloro-N-[(3-methoxy-5-nitro-4-propan-2-yloxyphenyl)methylideneamino]aniline
CID 110840312
3-chloro-N-[(4-hexoxy-3-methoxy-5-nitrophenyl)methylideneamino]aniline
CID 110840308
4-chloro-2-[(E)-[(3-chlorophenyl)hydrazinylidene]methyl]-6-nitrophenol
CID 135615920
3-chloro-N-[(4-chloro-3-nitrophenyl)methylideneamino]aniline
CID 84924393
2-chloro-6-methoxy-4-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]phenol
CID 135589325
4-[(E)-[(2,4-dimethylphenyl)hydrazinylidene]methyl]-2-methoxy-6-nitrophenol
CID 135608137
2-ethoxy-6-nitro-4-[(Z)-(phenylhydrazinylidene)methyl]phenol
CID 135891680
1-[(Z)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-3-phenylthiourea
CID 135552116
N-(3-chlorophenyl)-3-nitro-4-[(2Z)-2-[(3,4,5-trimethoxyphenyl)methylidene]hydrazinyl]benzenesulfonamide
CID 6092911
4-[(5-chloro-2-methylphenyl)iminomethyl]-2-methoxy-6-nitrophenol
CID 137117281

Frequently Asked Questions

What is the IUPAC name of 4-[[(3-chlorophenyl)hydrazinylidene]methyl]-2-methoxy-6-nitrophenol?
The IUPAC name of 4-[[(3-chlorophenyl)hydrazinylidene]methyl]-2-methoxy-6-nitrophenol (CID 4965646) is 4-[[(3-chlorophenyl)hydrazinylidene]methyl]-2-methoxy-6-nitrophenol.
What is the SMILES notation for 4-[[(3-chlorophenyl)hydrazinylidene]methyl]-2-methoxy-6-nitrophenol?
The canonical SMILES for 4-[[(3-chlorophenyl)hydrazinylidene]methyl]-2-methoxy-6-nitrophenol is COc1cc(C=NNc2cccc(Cl)c2)cc([N+](=O)[O-])c1O.
What is the InChIKey of 4-[[(3-chlorophenyl)hydrazinylidene]methyl]-2-methoxy-6-nitrophenol?
The InChIKey is YDPAAMREILQQOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O4/c1-22-13-6-9(5-12(14(13)19)18(20)21)8-16-17-11-4-2-3-10(15)7-11/h2-8,17,19H,1H3.
What are the key properties of 4-[[(3-chlorophenyl)hydrazinylidene]methyl]-2-methoxy-6-nitrophenol?
4-[[(3-chlorophenyl)hydrazinylidene]methyl]-2-methoxy-6-nitrophenol has a molecular weight of 321.72 g/mol, XLogP of 3.41, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3-chlorophenyl)hydrazinylidene]methyl]-2-methoxy-6-nitrophenol is sourced from PubChem (CID 4965646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).