methyl 2-chloro-4-(hydrazinecarbonyl)benzoate

C9H9ClN2O3 — CID 67050317

IUPACmethyl 2-chloro-4-(hydrazinecarbonyl)benzoate
SMILESCOC(=O)c1ccc(C(=O)NN)cc1Cl
InChIInChI=1S/C9H9ClN2O3/c1-15-9(14)6-3-2-5(4-7(6)10)8(13)12-11/h2-4H,11H2,1H3,(H,12,13)
InChIKeyUFHAHFOAPIHMDY-UHFFFAOYSA-N
MW228.64 g/mol
LogP0.73
Rot. Bonds2

About methyl 2-chloro-4-(hydrazinecarbonyl)benzoate

methyl 2-chloro-4-(hydrazinecarbonyl)benzoate (PubChem CID 67050317) has the molecular formula C9H9ClN2O3 and a molecular weight of 228.64 g/mol. Its IUPAC name is methyl 2-chloro-4-(hydrazinecarbonyl)benzoate.

Molecular Properties

Compound Namemethyl 2-chloro-4-(hydrazinecarbonyl)benzoate
PubChem CID67050317
Molecular FormulaC9H9ClN2O3
Molecular Weight228.64 g/mol
Exact Mass228.03
IUPAC Namemethyl 2-chloro-4-(hydrazinecarbonyl)benzoate
SMILESCOC(=O)c1ccc(C(=O)NN)cc1Cl
InChIInChI=1S/C9H9ClN2O3/c1-15-9(14)6-3-2-5(4-7(6)10)8(13)12-11/h2-4H,11H2,1H3,(H,12,13)
InChIKeyUFHAHFOAPIHMDY-UHFFFAOYSA-N
XLogP0.73
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.64
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 4-(hydrazinecarbonyl)-2-methylbenzoate
CID 162059999
methyl 2-acetamido-4-(hydrazinecarbonyl)benzoate
CID 67050072
methyl 2-chloro-4-hydrazinylbenzoate
CID 21414029
methyl 4-carbamoyl-3-chlorobenzoate
CID 171338558
3-chloro-4-hydroxybenzohydrazide
CID 10954268
methyl 4-(bromomethyl)-2-chlorobenzoate
CID 22072833
methyl 3-chloro-4-[(Z)-N'-hydroxycarbamimidoyl]benzoate
CID 121432519
methyl 3-(hydrazinecarbonyl)benzoate;hydrochloride
CID 122507435
dimethyl 4-amino-6-chlorobenzene-1,3-dicarboxylate
CID 10824163
methyl 2-chloro-4-methanehydrazonoylbenzoate
CID 168530914
methyl 4-(3-aminoprop-1-enyl)-2-chlorobenzoate
CID 169464022
methyl 2-chloro-4-ethylsulfinylbenzoate
CID 118419411

Frequently Asked Questions

What is the IUPAC name of methyl 2-chloro-4-(hydrazinecarbonyl)benzoate?
The IUPAC name of methyl 2-chloro-4-(hydrazinecarbonyl)benzoate (CID 67050317) is methyl 2-chloro-4-(hydrazinecarbonyl)benzoate.
What is the SMILES notation for methyl 2-chloro-4-(hydrazinecarbonyl)benzoate?
The canonical SMILES for methyl 2-chloro-4-(hydrazinecarbonyl)benzoate is COC(=O)c1ccc(C(=O)NN)cc1Cl.
What is the InChIKey of methyl 2-chloro-4-(hydrazinecarbonyl)benzoate?
The InChIKey is UFHAHFOAPIHMDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2O3/c1-15-9(14)6-3-2-5(4-7(6)10)8(13)12-11/h2-4H,11H2,1H3,(H,12,13).
What are the key properties of methyl 2-chloro-4-(hydrazinecarbonyl)benzoate?
methyl 2-chloro-4-(hydrazinecarbonyl)benzoate has a molecular weight of 228.64 g/mol, XLogP of 0.73, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-chloro-4-(hydrazinecarbonyl)benzoate is sourced from PubChem (CID 67050317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).