2-[(E)-[(2-chlorophenyl)hydrazinylidene]methyl]benzoic acid

C14H11ClN2O2 — CID 45463584

IUPAC2-[(E)-[(2-chlorophenyl)hydrazinylidene]methyl]benzoic acid
SMILESO=C(O)c1ccccc1/C=N/Nc1ccccc1Cl
InChIInChI=1S/C14H11ClN2O2/c15-12-7-3-4-8-13(12)17-16-9-10-5-1-2-6-11(10)14(18)19/h1-9,17H,(H,18,19)/b16-9+
InChIKeyDTRNVNAYWBUQDN-CXUHLZMHSA-N
MW274.71 g/mol
LogP3.48
Rot. Bonds4

About 2-[(E)-[(2-chlorophenyl)hydrazinylidene]methyl]benzoic acid

2-[(E)-[(2-chlorophenyl)hydrazinylidene]methyl]benzoic acid (PubChem CID 45463584) has the molecular formula C14H11ClN2O2 and a molecular weight of 274.71 g/mol. Its IUPAC name is 2-[(E)-[(2-chlorophenyl)hydrazinylidene]methyl]benzoic acid.

Molecular Properties

Compound Name2-[(E)-[(2-chlorophenyl)hydrazinylidene]methyl]benzoic acid
PubChem CID45463584
Molecular FormulaC14H11ClN2O2
Molecular Weight274.71 g/mol
Exact Mass274.05
IUPAC Name2-[(E)-[(2-chlorophenyl)hydrazinylidene]methyl]benzoic acid
SMILESO=C(O)c1ccccc1/C=N/Nc1ccccc1Cl
InChIInChI=1S/C14H11ClN2O2/c15-12-7-3-4-8-13(12)17-16-9-10-5-1-2-6-11(10)14(18)19/h1-9,17H,(H,18,19)/b16-9+
InChIKeyDTRNVNAYWBUQDN-CXUHLZMHSA-N
XLogP3.48
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.71
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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 2-[(E)-[(2-chlorophenyl)hydrazinylidene]methyl]benzoic acid?
The IUPAC name of 2-[(E)-[(2-chlorophenyl)hydrazinylidene]methyl]benzoic acid (CID 45463584) is 2-[(E)-[(2-chlorophenyl)hydrazinylidene]methyl]benzoic acid.
What is the SMILES notation for 2-[(E)-[(2-chlorophenyl)hydrazinylidene]methyl]benzoic acid?
The canonical SMILES for 2-[(E)-[(2-chlorophenyl)hydrazinylidene]methyl]benzoic acid is O=C(O)c1ccccc1/C=N/Nc1ccccc1Cl.
What is the InChIKey of 2-[(E)-[(2-chlorophenyl)hydrazinylidene]methyl]benzoic acid?
The InChIKey is DTRNVNAYWBUQDN-CXUHLZMHSA-N. The full InChI is InChI=1S/C14H11ClN2O2/c15-12-7-3-4-8-13(12)17-16-9-10-5-1-2-6-11(10)14(18)19/h1-9,17H,(H,18,19)/b16-9+.
What are the key properties of 2-[(E)-[(2-chlorophenyl)hydrazinylidene]methyl]benzoic acid?
2-[(E)-[(2-chlorophenyl)hydrazinylidene]methyl]benzoic acid has a molecular weight of 274.71 g/mol, XLogP of 3.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[(2-chlorophenyl)hydrazinylidene]methyl]benzoic acid is sourced from PubChem (CID 45463584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).