2-[(5-chloro-2-hydroxyphenyl)iminomethyl]-6-methyl-4-nitrophenolate

C14H10ClN2O4- — CID 135816541

IUPAC2-[(5-chloro-2-hydroxyphenyl)iminomethyl]-6-methyl-4-nitrophenolate
SMILESCc1cc([N+](=O)[O-])cc(/C=N/c2cc(Cl)ccc2O)c1[O-]
InChIInChI=1S/C14H11ClN2O4/c1-8-4-11(17(20)21)5-9(14(8)19)7-16-12-6-10(15)2-3-13(12)18/h2-7,18-19H,1H3/p-1/b16-7+
InChIKeyFFXXALDRLBMVLO-FRKPEAEDSA-M
MW305.70 g/mol
LogP3.09
Rot. Bonds3

About 2-[(5-chloro-2-hydroxyphenyl)iminomethyl]-6-methyl-4-nitrophenolate

2-[(5-chloro-2-hydroxyphenyl)iminomethyl]-6-methyl-4-nitrophenolate (PubChem CID 135816541) has the molecular formula C14H10ClN2O4- and a molecular weight of 305.70 g/mol. Its IUPAC name is 2-[(5-chloro-2-hydroxyphenyl)iminomethyl]-6-methyl-4-nitrophenolate.

Molecular Properties

Compound Name2-[(5-chloro-2-hydroxyphenyl)iminomethyl]-6-methyl-4-nitrophenolate
PubChem CID135816541
Molecular FormulaC14H10ClN2O4-
Molecular Weight305.70 g/mol
Exact Mass305.03
IUPAC Name2-[(5-chloro-2-hydroxyphenyl)iminomethyl]-6-methyl-4-nitrophenolate
SMILESCc1cc([N+](=O)[O-])cc(/C=N/c2cc(Cl)ccc2O)c1[O-]
InChIInChI=1S/C14H11ClN2O4/c1-8-4-11(17(20)21)5-9(14(8)19)7-16-12-6-10(15)2-3-13(12)18/h2-7,18-19H,1H3/p-1/b16-7+
InChIKeyFFXXALDRLBMVLO-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'}

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Related Compounds

2-[(2,5-dichlorophenyl)iminomethyl]-4-nitrophenol
CID 690802
4-chloro-2-[(2-hydroxy-5-methylphenyl)iminomethyl]-6-nitrophenolate
CID 135827916
2-[(4-chloro-2-fluorophenyl)iminomethyl]-4-nitrophenol
CID 135595304
4-tert-butyl-2-chloro-6-[(2-hydroxy-5-nitrophenyl)methylideneamino]phenolate
CID 135682525
2-[(2,4-dimethylphenyl)iminomethyl]-6-methyl-4-nitrophenol
CID 902425
2-[[2-hydroxy-5-[4-hydroxy-3-[(2-hydroxy-5-nitrophenyl)methylideneamino]phenyl]sulfonylphenyl]iminomethyl]-4-nitrophenol
CID 3683994
2-[(2-hydroxy-5-nitrophenyl)methylideneamino]-5-methylphenol
CID 3111519
2-[(4-methylphenyl)methylideneamino]-4-nitrophenol
CID 690997
1-(4-chlorophenyl)-N-(2-methyl-4-nitrophenyl)methanimine
CID 5036579
4-nitro-2-[(4-nitrophenyl)methylideneamino]phenol
CID 4006870
3-[(2-hydroxy-5-nitrophenyl)methylideneamino]-4-methylbenzoic acid
CID 137085922
2,6-dimethyl-4-nitrophenolate
CID 6993803

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-2-hydroxyphenyl)iminomethyl]-6-methyl-4-nitrophenolate?
The IUPAC name of 2-[(5-chloro-2-hydroxyphenyl)iminomethyl]-6-methyl-4-nitrophenolate (CID 135816541) is 2-[(5-chloro-2-hydroxyphenyl)iminomethyl]-6-methyl-4-nitrophenolate.
What is the SMILES notation for 2-[(5-chloro-2-hydroxyphenyl)iminomethyl]-6-methyl-4-nitrophenolate?
The canonical SMILES for 2-[(5-chloro-2-hydroxyphenyl)iminomethyl]-6-methyl-4-nitrophenolate is Cc1cc([N+](=O)[O-])cc(/C=N/c2cc(Cl)ccc2O)c1[O-].
What is the InChIKey of 2-[(5-chloro-2-hydroxyphenyl)iminomethyl]-6-methyl-4-nitrophenolate?
The InChIKey is FFXXALDRLBMVLO-FRKPEAEDSA-M. The full InChI is InChI=1S/C14H11ClN2O4/c1-8-4-11(17(20)21)5-9(14(8)19)7-16-12-6-10(15)2-3-13(12)18/h2-7,18-19H,1H3/p-1/b16-7+.
What are the key properties of 2-[(5-chloro-2-hydroxyphenyl)iminomethyl]-6-methyl-4-nitrophenolate?
2-[(5-chloro-2-hydroxyphenyl)iminomethyl]-6-methyl-4-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 2-[(5-chloro-2-hydroxyphenyl)iminomethyl]-6-methyl-4-nitrophenolate is sourced from PubChem (CID 135816541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).