(2Z)-2-[(3,5-dichloro-4-fluorophenyl)hydrazinylidene]propanoic acid

C9H7Cl2FN2O2 — CID 155255266

IUPAC(2Z)-2-[(3,5-dichloro-4-fluorophenyl)hydrazinylidene]propanoic acid
SMILESC/C(=N/Nc1cc(Cl)c(F)c(Cl)c1)C(=O)O
InChIInChI=1S/C9H7Cl2FN2O2/c1-4(9(15)16)13-14-5-2-6(10)8(12)7(11)3-5/h2-3,14H,1H3,(H,15,16)/b13-4-
InChIKeyYOAHDCJNDPEIFB-PQMHYQBVSA-N
MW265.07 g/mol
LogP3.00
Rot. Bonds3

About (2Z)-2-[(3,5-dichloro-4-fluorophenyl)hydrazinylidene]propanoic acid

(2Z)-2-[(3,5-dichloro-4-fluorophenyl)hydrazinylidene]propanoic acid (PubChem CID 155255266) has the molecular formula C9H7Cl2FN2O2 and a molecular weight of 265.07 g/mol. Its IUPAC name is (2Z)-2-[(3,5-dichloro-4-fluorophenyl)hydrazinylidene]propanoic acid.

Molecular Properties

Compound Name(2Z)-2-[(3,5-dichloro-4-fluorophenyl)hydrazinylidene]propanoic acid
PubChem CID155255266
Molecular FormulaC9H7Cl2FN2O2
Molecular Weight265.07 g/mol
Exact Mass263.99
IUPAC Name(2Z)-2-[(3,5-dichloro-4-fluorophenyl)hydrazinylidene]propanoic acid
SMILESC/C(=N/Nc1cc(Cl)c(F)c(Cl)c1)C(=O)O
InChIInChI=1S/C9H7Cl2FN2O2/c1-4(9(15)16)13-14-5-2-6(10)8(12)7(11)3-5/h2-3,14H,1H3,(H,15,16)/b13-4-
InChIKeyYOAHDCJNDPEIFB-PQMHYQBVSA-N
XLogP3.00
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.07
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2E)-2-[(4-fluorophenyl)hydrazinylidene]propanoic acid
CID 156507863
(2E)-2-[[4-chloro-3-(trifluoromethyl)phenyl]hydrazinylidene]propanoic acid
CID 134113266
(2Z)-2-[[3-[(2Z)-2-(1-carboxyethylidene)hydrazinyl]phenyl]hydrazinylidene]propanoic acid
CID 23269447
(2E)-2-[(5-chloro-3,6-difluoro-2-pyridinyl)hydrazinylidene]propanoic acid
CID 138663022
3-(3,5-dichloro-4-fluoroanilino)-2,2-dimethylpropanoic acid
CID 107573955
(2Z)-2-[(2,4-difluorophenyl)hydrazinylidene]propanoic acid
CID 21298987
2-[(5-chloro-2-methylphenyl)hydrazinylidene]propanoic acid
CID 129244111
2-(3,5-dichloro-4-fluoroanilino)acetamide
CID 107573760
3,5-dichloro-4-fluoro-N-methylaniline
CID 103579814
2-(3,5-dichloro-4-fluorophenyl)-2-oxoacetic acid
CID 117345896
3-(3,5-dichloro-4-fluoroanilino)propanamide
CID 107573902
3-(3,5-dichloro-4-fluoroanilino)-N-ethylpropanamide
CID 107574011

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(3,5-dichloro-4-fluorophenyl)hydrazinylidene]propanoic acid?
The IUPAC name of (2Z)-2-[(3,5-dichloro-4-fluorophenyl)hydrazinylidene]propanoic acid (CID 155255266) is (2Z)-2-[(3,5-dichloro-4-fluorophenyl)hydrazinylidene]propanoic acid.
What is the SMILES notation for (2Z)-2-[(3,5-dichloro-4-fluorophenyl)hydrazinylidene]propanoic acid?
The canonical SMILES for (2Z)-2-[(3,5-dichloro-4-fluorophenyl)hydrazinylidene]propanoic acid is C/C(=N/Nc1cc(Cl)c(F)c(Cl)c1)C(=O)O.
What is the InChIKey of (2Z)-2-[(3,5-dichloro-4-fluorophenyl)hydrazinylidene]propanoic acid?
The InChIKey is YOAHDCJNDPEIFB-PQMHYQBVSA-N. The full InChI is InChI=1S/C9H7Cl2FN2O2/c1-4(9(15)16)13-14-5-2-6(10)8(12)7(11)3-5/h2-3,14H,1H3,(H,15,16)/b13-4-.
What are the key properties of (2Z)-2-[(3,5-dichloro-4-fluorophenyl)hydrazinylidene]propanoic acid?
(2Z)-2-[(3,5-dichloro-4-fluorophenyl)hydrazinylidene]propanoic acid has a molecular weight of 265.07 g/mol, XLogP of 3.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(3,5-dichloro-4-fluorophenyl)hydrazinylidene]propanoic acid is sourced from PubChem (CID 155255266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).