2-chloro-5-[(2Z)-2-[(2-nitrophenyl)methylidene]hydrazinyl]benzoate

C14H9ClN3O4- — CID 7415317

IUPAC2-chloro-5-[(2Z)-2-[(2-nitrophenyl)methylidene]hydrazinyl]benzoate
SMILESO=C([O-])c1cc(N/N=C\c2ccccc2[N+](=O)[O-])ccc1Cl
InChIInChI=1S/C14H10ClN3O4/c15-12-6-5-10(7-11(12)14(19)20)17-16-8-9-3-1-2-4-13(9)18(21)22/h1-8,17H,(H,19,20)/p-1/b16-8-
InChIKeyLNSLCCFRBYEBQR-PXNMLYILSA-M
MW318.70 g/mol
LogP2.06
Rot. Bonds5

About 2-chloro-5-[(2Z)-2-[(2-nitrophenyl)methylidene]hydrazinyl]benzoate

2-chloro-5-[(2Z)-2-[(2-nitrophenyl)methylidene]hydrazinyl]benzoate (PubChem CID 7415317) has the molecular formula C14H9ClN3O4- and a molecular weight of 318.70 g/mol. Its IUPAC name is 2-chloro-5-[(2Z)-2-[(2-nitrophenyl)methylidene]hydrazinyl]benzoate.

Molecular Properties

Compound Name2-chloro-5-[(2Z)-2-[(2-nitrophenyl)methylidene]hydrazinyl]benzoate
PubChem CID7415317
Molecular FormulaC14H9ClN3O4-
Molecular Weight318.70 g/mol
Exact Mass318.03
IUPAC Name2-chloro-5-[(2Z)-2-[(2-nitrophenyl)methylidene]hydrazinyl]benzoate
SMILESO=C([O-])c1cc(N/N=C\c2ccccc2[N+](=O)[O-])ccc1Cl
InChIInChI=1S/C14H10ClN3O4/c15-12-6-5-10(7-11(12)14(19)20)17-16-8-9-3-1-2-4-13(9)18(21)22/h1-8,17H,(H,19,20)/p-1/b16-8-
InChIKeyLNSLCCFRBYEBQR-PXNMLYILSA-M
XLogP2.06
TPSA107.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.70
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-chloro-5-[(2Z)-2-[(2-nitrophenyl)methylidene]hydrazinyl]benzoate 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

2-chloro-5-[(2E)-2-(1H-indol-3-ylmethylidene)hydrazinyl]benzoate
CID 135795392
2-chloro-5-[(2Z)-2-[(2,3-dimethoxyphenyl)methylidene]hydrazinyl]benzoate
CID 7416481
2,4-dichloro-N-[(2-nitrophenyl)methylideneamino]benzamide
CID 774246
4-chloro-2-nitro-6-[(phenylhydrazinylidene)methyl]phenol
CID 4071998
[(2-nitrophenyl)methylideneamino](13C)urea
CID 57370038
[(E)-[2-[oxido(oxo)(15N)(15N)azaniumyl]phenyl](113C)methylideneamino]urea
CID 155903854
N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-[(Z)-(2-nitrophenyl)methylideneamino]oxamide
CID 6249380
3-[2-[(4-chloro-3-nitrophenyl)methylidene]hydrazinyl]benzoic acid
CID 78596969
N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]aniline
CID 13399292
4-chloro-2-[(E)-[(3-chlorophenyl)hydrazinylidene]methyl]-6-nitrophenol
CID 135615920
2,4-dichloro-6-[[(2-nitrophenyl)hydrazinylidene]methyl]phenol
CID 3698846
2-[(Z)-[(4-chloro-3-nitrophenyl)hydrazinylidene]methyl]-4-nitrophenol
CID 135759833

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(2Z)-2-[(2-nitrophenyl)methylidene]hydrazinyl]benzoate?
The IUPAC name of 2-chloro-5-[(2Z)-2-[(2-nitrophenyl)methylidene]hydrazinyl]benzoate (CID 7415317) is 2-chloro-5-[(2Z)-2-[(2-nitrophenyl)methylidene]hydrazinyl]benzoate.
What is the SMILES notation for 2-chloro-5-[(2Z)-2-[(2-nitrophenyl)methylidene]hydrazinyl]benzoate?
The canonical SMILES for 2-chloro-5-[(2Z)-2-[(2-nitrophenyl)methylidene]hydrazinyl]benzoate is O=C([O-])c1cc(N/N=C\c2ccccc2[N+](=O)[O-])ccc1Cl.
What is the InChIKey of 2-chloro-5-[(2Z)-2-[(2-nitrophenyl)methylidene]hydrazinyl]benzoate?
The InChIKey is LNSLCCFRBYEBQR-PXNMLYILSA-M. The full InChI is InChI=1S/C14H10ClN3O4/c15-12-6-5-10(7-11(12)14(19)20)17-16-8-9-3-1-2-4-13(9)18(21)22/h1-8,17H,(H,19,20)/p-1/b16-8-.
What are the key properties of 2-chloro-5-[(2Z)-2-[(2-nitrophenyl)methylidene]hydrazinyl]benzoate?
2-chloro-5-[(2Z)-2-[(2-nitrophenyl)methylidene]hydrazinyl]benzoate has a molecular weight of 318.70 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(2Z)-2-[(2-nitrophenyl)methylidene]hydrazinyl]benzoate is sourced from PubChem (CID 7415317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).