methyl 4-hydrazinyl-3-hydroxybenzoate

C8H10N2O3 — CID 70230568

IUPACmethyl 4-hydrazinyl-3-hydroxybenzoate
SMILESCOC(=O)c1ccc(NN)c(O)c1
InChIInChI=1S/C8H10N2O3/c1-13-8(12)5-2-3-6(10-9)7(11)4-5/h2-4,10-11H,9H2,1H3
InChIKeyYTFGSDWFQJNABM-UHFFFAOYSA-N
MW182.18 g/mol
LogP0.46
Rot. Bonds2

About methyl 4-hydrazinyl-3-hydroxybenzoate

methyl 4-hydrazinyl-3-hydroxybenzoate (PubChem CID 70230568) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is methyl 4-hydrazinyl-3-hydroxybenzoate.

Molecular Properties

Compound Namemethyl 4-hydrazinyl-3-hydroxybenzoate
PubChem CID70230568
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Namemethyl 4-hydrazinyl-3-hydroxybenzoate
SMILESCOC(=O)c1ccc(NN)c(O)c1
InChIInChI=1S/C8H10N2O3/c1-13-8(12)5-2-3-6(10-9)7(11)4-5/h2-4,10-11H,9H2,1H3
InChIKeyYTFGSDWFQJNABM-UHFFFAOYSA-N
XLogP0.46
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 4-hydrazinyl-3-hydroxybenzoate?
The IUPAC name of methyl 4-hydrazinyl-3-hydroxybenzoate (CID 70230568) is methyl 4-hydrazinyl-3-hydroxybenzoate.
What is the SMILES notation for methyl 4-hydrazinyl-3-hydroxybenzoate?
The canonical SMILES for methyl 4-hydrazinyl-3-hydroxybenzoate is COC(=O)c1ccc(NN)c(O)c1.
What is the InChIKey of methyl 4-hydrazinyl-3-hydroxybenzoate?
The InChIKey is YTFGSDWFQJNABM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c1-13-8(12)5-2-3-6(10-9)7(11)4-5/h2-4,10-11H,9H2,1H3.
What are the key properties of methyl 4-hydrazinyl-3-hydroxybenzoate?
methyl 4-hydrazinyl-3-hydroxybenzoate has a molecular weight of 182.18 g/mol, XLogP of 0.46, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-hydrazinyl-3-hydroxybenzoate is sourced from PubChem (CID 70230568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).