2-chloro-5-[(2Z)-2-[(3-methylthiophen-2-yl)methylidene]hydrazinyl]benzoic acid

C13H11ClN2O2S — CID 6049630

IUPAC2-chloro-5-[(2Z)-2-[(3-methylthiophen-2-yl)methylidene]hydrazinyl]benzoic acid
SMILESCc1ccsc1/C=N\Nc1ccc(Cl)c(C(=O)O)c1
InChIInChI=1S/C13H11ClN2O2S/c1-8-4-5-19-12(8)7-15-16-9-2-3-11(14)10(6-9)13(17)18/h2-7,16H,1H3,(H,17,18)/b15-7-
InChIKeyZPDPJUGYXUCCPX-CHHVJCJISA-N
MW294.76 g/mol
LogP3.85
Rot. Bonds4

About 2-chloro-5-[(2Z)-2-[(3-methylthiophen-2-yl)methylidene]hydrazinyl]benzoic acid

2-chloro-5-[(2Z)-2-[(3-methylthiophen-2-yl)methylidene]hydrazinyl]benzoic acid (PubChem CID 6049630) has the molecular formula C13H11ClN2O2S and a molecular weight of 294.76 g/mol. Its IUPAC name is 2-chloro-5-[(2Z)-2-[(3-methylthiophen-2-yl)methylidene]hydrazinyl]benzoic acid.

Molecular Properties

Compound Name2-chloro-5-[(2Z)-2-[(3-methylthiophen-2-yl)methylidene]hydrazinyl]benzoic acid
PubChem CID6049630
Molecular FormulaC13H11ClN2O2S
Molecular Weight294.76 g/mol
Exact Mass294.02
IUPAC Name2-chloro-5-[(2Z)-2-[(3-methylthiophen-2-yl)methylidene]hydrazinyl]benzoic acid
SMILESCc1ccsc1/C=N\Nc1ccc(Cl)c(C(=O)O)c1
InChIInChI=1S/C13H11ClN2O2S/c1-8-4-5-19-12(8)7-15-16-9-2-3-11(14)10(6-9)13(17)18/h2-7,16H,1H3,(H,17,18)/b15-7-
InChIKeyZPDPJUGYXUCCPX-CHHVJCJISA-N
XLogP3.85
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.76
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_thiophene_B(4)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-chloro-5-[(2Z)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]benzoic acid
CID 6310893
5-[(2E)-2-[[5-(3-carboxy-4-chlorophenyl)furan-2-yl]methylidene]hydrazinyl]-2-methylbenzoic acid
CID 58586325
2-chloro-5-[(2Z)-2-[[4-(diethylamino)phenyl]methylidene]hydrazinyl]benzoic acid
CID 6013982
5-bromo-2-chloro-N-[2-[(2E)-2-[(3-methylthiophen-2-yl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 43948545
2-chloro-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]-4-nitrobenzamide
CID 6896329
N,N'-bis[(Z)-(3-methylthiophen-2-yl)methylideneamino]butanediamide
CID 6385345
2-hydroxy-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-2,2-diphenylacetamide
CID 6259909
4-[(E)-[(3-carboxy-4-chlorophenyl)hydrazinylidene]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-olate
CID 135813789
2,5-dimethyl-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]furan-3-carboxamide
CID 5412705
5-[(2E)-2-[[5-(2-carboxyphenyl)furan-2-yl]methylidene]hydrazinyl]-2-chlorobenzoic acid
CID 126223635
N'-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-N-(4-propan-2-ylphenyl)oxamide
CID 94846881
2-chloro-5-[(2Z)-2-[1-(2,5-dichlorophenyl)ethylidene]hydrazinyl]benzoic acid
CID 6300123

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(2Z)-2-[(3-methylthiophen-2-yl)methylidene]hydrazinyl]benzoic acid?
The IUPAC name of 2-chloro-5-[(2Z)-2-[(3-methylthiophen-2-yl)methylidene]hydrazinyl]benzoic acid (CID 6049630) is 2-chloro-5-[(2Z)-2-[(3-methylthiophen-2-yl)methylidene]hydrazinyl]benzoic acid.
What is the SMILES notation for 2-chloro-5-[(2Z)-2-[(3-methylthiophen-2-yl)methylidene]hydrazinyl]benzoic acid?
The canonical SMILES for 2-chloro-5-[(2Z)-2-[(3-methylthiophen-2-yl)methylidene]hydrazinyl]benzoic acid is Cc1ccsc1/C=N\Nc1ccc(Cl)c(C(=O)O)c1.
What is the InChIKey of 2-chloro-5-[(2Z)-2-[(3-methylthiophen-2-yl)methylidene]hydrazinyl]benzoic acid?
The InChIKey is ZPDPJUGYXUCCPX-CHHVJCJISA-N. The full InChI is InChI=1S/C13H11ClN2O2S/c1-8-4-5-19-12(8)7-15-16-9-2-3-11(14)10(6-9)13(17)18/h2-7,16H,1H3,(H,17,18)/b15-7-.
What are the key properties of 2-chloro-5-[(2Z)-2-[(3-methylthiophen-2-yl)methylidene]hydrazinyl]benzoic acid?
2-chloro-5-[(2Z)-2-[(3-methylthiophen-2-yl)methylidene]hydrazinyl]benzoic acid has a molecular weight of 294.76 g/mol, XLogP of 3.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(2Z)-2-[(3-methylthiophen-2-yl)methylidene]hydrazinyl]benzoic acid is sourced from PubChem (CID 6049630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).