4-chloro-2-[(2-hydroxy-5-methylphenyl)iminomethyl]-6-nitrophenolate

C14H10ClN2O4- — CID 135827916

IUPAC4-chloro-2-[(2-hydroxy-5-methylphenyl)iminomethyl]-6-nitrophenolate
SMILESCc1ccc(O)c(/N=C/c2cc(Cl)cc([N+](=O)[O-])c2[O-])c1
InChIInChI=1S/C14H11ClN2O4/c1-8-2-3-13(18)11(4-8)16-7-9-5-10(15)6-12(14(9)19)17(20)21/h2-7,18-19H,1H3/p-1/b16-7+
InChIKeyCVPXSTMLWROPSP-FRKPEAEDSA-M
MW305.70 g/mol
LogP3.09
Rot. Bonds3

About 4-chloro-2-[(2-hydroxy-5-methylphenyl)iminomethyl]-6-nitrophenolate

4-chloro-2-[(2-hydroxy-5-methylphenyl)iminomethyl]-6-nitrophenolate (PubChem CID 135827916) has the molecular formula C14H10ClN2O4- and a molecular weight of 305.70 g/mol. Its IUPAC name is 4-chloro-2-[(2-hydroxy-5-methylphenyl)iminomethyl]-6-nitrophenolate.

Molecular Properties

Compound Name4-chloro-2-[(2-hydroxy-5-methylphenyl)iminomethyl]-6-nitrophenolate
PubChem CID135827916
Molecular FormulaC14H10ClN2O4-
Molecular Weight305.70 g/mol
Exact Mass305.03
IUPAC Name4-chloro-2-[(2-hydroxy-5-methylphenyl)iminomethyl]-6-nitrophenolate
SMILESCc1ccc(O)c(/N=C/c2cc(Cl)cc([N+](=O)[O-])c2[O-])c1
InChIInChI=1S/C14H11ClN2O4/c1-8-2-3-13(18)11(4-8)16-7-9-5-10(15)6-12(14(9)19)17(20)21/h2-7,18-19H,1H3/p-1/b16-7+
InChIKeyCVPXSTMLWROPSP-FRKPEAEDSA-M
XLogP3.09
TPSA98.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.70
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_phenol_A(3)', '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'}

Analyze 4-chloro-2-[(2-hydroxy-5-methylphenyl)iminomethyl]-6-nitrophenolate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-2-[(4-fluoro-2-methylphenyl)iminomethyl]-6-nitrophenolate
CID 7607837
2-[(2,5-dimethylphenyl)iminomethyl]-4-methyl-6-nitrophenolate
CID 7067911
2-[(2-bromophenyl)iminomethyl]-4-chloro-6-nitrophenolate
CID 7601605
2-[(5-chloro-2-hydroxyphenyl)iminomethyl]-6-methyl-4-nitrophenolate
CID 135816541
4-chloro-2-[(4-fluorophenyl)iminomethyl]-6-nitrophenolate
CID 6921906
4-chloro-2-nitro-6-(quinolin-8-yliminomethyl)phenolate
CID 7034126
4-benzyl-2-[(2-hydroxy-5-methylphenyl)iminomethyl]-6-nitrophenol
CID 3923756
4-chloro-2-[(2,3-dichlorophenyl)iminomethyl]-6-nitrophenol
CID 4090365
4-chloro-2-[(3,5-dimethoxyphenyl)iminomethyl]-6-nitrophenolate
CID 7606032
4-chloro-2-[[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]iminomethyl]-6-nitrophenolate
CID 7505665
4-chloro-2-[(4-ethoxyphenyl)iminomethyl]-6-nitrophenolate
CID 7983562
4-chloro-2-[(2,5-dimethylphenyl)iminomethyl]phenol
CID 135648337

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(2-hydroxy-5-methylphenyl)iminomethyl]-6-nitrophenolate?
The IUPAC name of 4-chloro-2-[(2-hydroxy-5-methylphenyl)iminomethyl]-6-nitrophenolate (CID 135827916) is 4-chloro-2-[(2-hydroxy-5-methylphenyl)iminomethyl]-6-nitrophenolate.
What is the SMILES notation for 4-chloro-2-[(2-hydroxy-5-methylphenyl)iminomethyl]-6-nitrophenolate?
The canonical SMILES for 4-chloro-2-[(2-hydroxy-5-methylphenyl)iminomethyl]-6-nitrophenolate is Cc1ccc(O)c(/N=C/c2cc(Cl)cc([N+](=O)[O-])c2[O-])c1.
What is the InChIKey of 4-chloro-2-[(2-hydroxy-5-methylphenyl)iminomethyl]-6-nitrophenolate?
The InChIKey is CVPXSTMLWROPSP-FRKPEAEDSA-M. The full InChI is InChI=1S/C14H11ClN2O4/c1-8-2-3-13(18)11(4-8)16-7-9-5-10(15)6-12(14(9)19)17(20)21/h2-7,18-19H,1H3/p-1/b16-7+.
What are the key properties of 4-chloro-2-[(2-hydroxy-5-methylphenyl)iminomethyl]-6-nitrophenolate?
4-chloro-2-[(2-hydroxy-5-methylphenyl)iminomethyl]-6-nitrophenolate has a molecular weight of 305.70 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(2-hydroxy-5-methylphenyl)iminomethyl]-6-nitrophenolate is sourced from PubChem (CID 135827916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).