2-[(5-chloro-2-methylphenyl)hydrazinylidene]propanoic acid

C10H11ClN2O2 — CID 129244111

IUPAC2-[(5-chloro-2-methylphenyl)hydrazinylidene]propanoic acid
SMILESCC(=NNc1cc(Cl)ccc1C)C(=O)O
InChIInChI=1S/C10H11ClN2O2/c1-6-3-4-8(11)5-9(6)13-12-7(2)10(14)15/h3-5,13H,1-2H3,(H,14,15)
InChIKeyFEBQDZWTCLGKBW-UHFFFAOYSA-N
MW226.66 g/mol
LogP2.52
Rot. Bonds3

About 2-[(5-chloro-2-methylphenyl)hydrazinylidene]propanoic acid

2-[(5-chloro-2-methylphenyl)hydrazinylidene]propanoic acid (PubChem CID 129244111) has the molecular formula C10H11ClN2O2 and a molecular weight of 226.66 g/mol. Its IUPAC name is 2-[(5-chloro-2-methylphenyl)hydrazinylidene]propanoic acid.

Molecular Properties

Compound Name2-[(5-chloro-2-methylphenyl)hydrazinylidene]propanoic acid
PubChem CID129244111
Molecular FormulaC10H11ClN2O2
Molecular Weight226.66 g/mol
Exact Mass226.05
IUPAC Name2-[(5-chloro-2-methylphenyl)hydrazinylidene]propanoic acid
SMILESCC(=NNc1cc(Cl)ccc1C)C(=O)O
InChIInChI=1S/C10H11ClN2O2/c1-6-3-4-8(11)5-9(6)13-12-7(2)10(14)15/h3-5,13H,1-2H3,(H,14,15)
InChIKeyFEBQDZWTCLGKBW-UHFFFAOYSA-N
XLogP2.52
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.66
LogP ≤ 52.52
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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Related Compounds

(2Z)-2-[(2,4-difluorophenyl)hydrazinylidene]propanoic acid
CID 21298987
ethyl (2Z)-2-[(5-chloro-2-methylphenyl)hydrazinylidene]-2-(4-methylphenyl)sulfonylacetate
CID 21176404
N,N'-bis(5-chloro-2-methylphenyl)propanediamide
CID 1340673
3-(5-chloro-2-methylanilino)-4-fluorobenzoic acid
CID 82536296
2-chloro-N-(5-chloro-2-methylphenyl)prop-2-enamide
CID 131001051
4-[(5-chloro-2-methylphenyl)carbamoyl]benzoic acid
CID 43386540
(E)-4-(5-chloro-2-methylanilino)-4-oxobut-2-enoic acid
CID 710513
4-amino-3-(5-chloro-2-methylanilino)benzoic acid
CID 82790344
acetyl chloride;4-chloro-1,2-dimethylbenzene
CID 174808009
1-(5-chloro-2-methylphenyl)-3-(2-phenylpropan-2-yl)urea
CID 47081845
(E)-N-(5-chloro-2-methylphenyl)-2-methyl-3-phenylprop-2-enamide
CID 6261301
2-[(5-chloro-2-methylphenyl)carbamoylamino]-2-methylpropanoic acid
CID 61265931

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-2-methylphenyl)hydrazinylidene]propanoic acid?
The IUPAC name of 2-[(5-chloro-2-methylphenyl)hydrazinylidene]propanoic acid (CID 129244111) is 2-[(5-chloro-2-methylphenyl)hydrazinylidene]propanoic acid.
What is the SMILES notation for 2-[(5-chloro-2-methylphenyl)hydrazinylidene]propanoic acid?
The canonical SMILES for 2-[(5-chloro-2-methylphenyl)hydrazinylidene]propanoic acid is CC(=NNc1cc(Cl)ccc1C)C(=O)O.
What is the InChIKey of 2-[(5-chloro-2-methylphenyl)hydrazinylidene]propanoic acid?
The InChIKey is FEBQDZWTCLGKBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O2/c1-6-3-4-8(11)5-9(6)13-12-7(2)10(14)15/h3-5,13H,1-2H3,(H,14,15).
What are the key properties of 2-[(5-chloro-2-methylphenyl)hydrazinylidene]propanoic acid?
2-[(5-chloro-2-methylphenyl)hydrazinylidene]propanoic acid has a molecular weight of 226.66 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-2-methylphenyl)hydrazinylidene]propanoic acid is sourced from PubChem (CID 129244111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).