4-chloro-3-hydrazinylbenzoic acid

C7H7ClN2O2 — CID 2064087

IUPAC4-chloro-3-hydrazinylbenzoic acid
SMILESNNc1cc(C(=O)O)ccc1Cl
InChIInChI=1S/C7H7ClN2O2/c8-5-2-1-4(7(11)12)3-6(5)10-9/h1-3,10H,9H2,(H,11,12)
InChIKeyVRJBLCRWLBHWBJ-UHFFFAOYSA-N
MW186.60 g/mol
LogP1.32
Rot. Bonds2

About 4-chloro-3-hydrazinylbenzoic acid

4-chloro-3-hydrazinylbenzoic acid (PubChem CID 2064087) has the molecular formula C7H7ClN2O2 and a molecular weight of 186.60 g/mol. Its IUPAC name is 4-chloro-3-hydrazinylbenzoic acid.

Molecular Properties

Compound Name4-chloro-3-hydrazinylbenzoic acid
PubChem CID2064087
Molecular FormulaC7H7ClN2O2
Molecular Weight186.60 g/mol
Exact Mass186.02
IUPAC Name4-chloro-3-hydrazinylbenzoic acid
SMILESNNc1cc(C(=O)O)ccc1Cl
InChIInChI=1S/C7H7ClN2O2/c8-5-2-1-4(7(11)12)3-6(5)10-9/h1-3,10H,9H2,(H,11,12)
InChIKeyVRJBLCRWLBHWBJ-UHFFFAOYSA-N
XLogP1.32
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.60
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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 4-chloro-3-hydrazinylbenzoic acid?
The IUPAC name of 4-chloro-3-hydrazinylbenzoic acid (CID 2064087) is 4-chloro-3-hydrazinylbenzoic acid.
What is the SMILES notation for 4-chloro-3-hydrazinylbenzoic acid?
The canonical SMILES for 4-chloro-3-hydrazinylbenzoic acid is NNc1cc(C(=O)O)ccc1Cl.
What is the InChIKey of 4-chloro-3-hydrazinylbenzoic acid?
The InChIKey is VRJBLCRWLBHWBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN2O2/c8-5-2-1-4(7(11)12)3-6(5)10-9/h1-3,10H,9H2,(H,11,12).
What are the key properties of 4-chloro-3-hydrazinylbenzoic acid?
4-chloro-3-hydrazinylbenzoic acid has a molecular weight of 186.60 g/mol, XLogP of 1.32, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-hydrazinylbenzoic acid is sourced from PubChem (CID 2064087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).