4-[(E,3E)-3-[(3,5-dichloro-2-pyridinyl)hydrazinylidene]but-1-enyl]phenol

C15H13Cl2N3O — CID 171982025

IUPAC4-[(E,3E)-3-[(3,5-dichloro-2-pyridinyl)hydrazinylidene]but-1-enyl]phenol
SMILESCC(/C=C/c1ccc(O)cc1)=N\Nc1ncc(Cl)cc1Cl
InChIInChI=1S/C15H13Cl2N3O/c1-10(2-3-11-4-6-13(21)7-5-11)19-20-15-14(17)8-12(16)9-18-15/h2-9,21H,1H3,(H,18,20)/b3-2+,19-10+
InChIKeySZEBBGNLILSOGP-MQWSALKESA-N
MW322.20 g/mol
LogP4.60
Rot. Bonds4

About 4-[(E,3E)-3-[(3,5-dichloro-2-pyridinyl)hydrazinylidene]but-1-enyl]phenol

4-[(E,3E)-3-[(3,5-dichloro-2-pyridinyl)hydrazinylidene]but-1-enyl]phenol (PubChem CID 171982025) has the molecular formula C15H13Cl2N3O and a molecular weight of 322.20 g/mol. Its IUPAC name is 4-[(E,3E)-3-[(3,5-dichloro-2-pyridinyl)hydrazinylidene]but-1-enyl]phenol.

Molecular Properties

Compound Name4-[(E,3E)-3-[(3,5-dichloro-2-pyridinyl)hydrazinylidene]but-1-enyl]phenol
PubChem CID171982025
Molecular FormulaC15H13Cl2N3O
Molecular Weight322.20 g/mol
Exact Mass321.04
IUPAC Name4-[(E,3E)-3-[(3,5-dichloro-2-pyridinyl)hydrazinylidene]but-1-enyl]phenol
SMILESCC(/C=C/c1ccc(O)cc1)=N\Nc1ncc(Cl)cc1Cl
InChIInChI=1S/C15H13Cl2N3O/c1-10(2-3-11-4-6-13(21)7-5-11)19-20-15-14(17)8-12(16)9-18-15/h2-9,21H,1H3,(H,18,20)/b3-2+,19-10+
InChIKeySZEBBGNLILSOGP-MQWSALKESA-N
XLogP4.60
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.20
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[(E,3E)-3-[(3,5-dichloro-2-pyridinyl)hydrazinylidene]but-1-enyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,5-dichloro-N-[(Z)-1-pyridin-4-ylethylideneamino]pyridin-2-amine
CID 7987811
4-[(E)-[(3,5-dichloro-2-pyridinyl)hydrazinylidene]methyl]benzene-1,3-diol
CID 135828372
3,5-dichloro-N-[(Z)-1-(5-methylthiophen-2-yl)ethylideneamino]pyridin-2-amine
CID 9150352
3,5-dichloro-N-[1-(furan-2-yl)ethylideneamino]pyridin-2-amine
CID 4833509
2-[(E)-N-[(3,5-dichloro-2-pyridinyl)amino]-C-methylcarbonimidoyl]-4-methoxyphenol
CID 135811285
4-[(E)-N-[(3,5-dichloro-2-pyridinyl)amino]-C-methylcarbonimidoyl]-2-(diethylaminomethyl)phenol
CID 135571802
[(Z)-[(E)-4-(4-hydroxyphenyl)but-3-en-2-ylidene]amino]urea
CID 136716120
3,5-dichloro-N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]pyridin-2-amine
CID 6217597
3,5-dichloro-N-[(Z)-1-(3,4-dimethoxyphenyl)propan-2-ylideneamino]pyridin-2-amine
CID 9463611
(1R,3E)-3-[(3,5-dichloro-2-pyridinyl)hydrazinylidene]-7-fluoro-1-methyl-1,2-dihydroinden-4-ol
CID 135836986
4-(2,4-dichlorophenyl)-N-(4-phenylbut-3-en-2-ylideneamino)-1,3-thiazol-2-amine
CID 5027423
[(2S)-1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 4-hydroxybenzoate
CID 2624812

Frequently Asked Questions

What is the IUPAC name of 4-[(E,3E)-3-[(3,5-dichloro-2-pyridinyl)hydrazinylidene]but-1-enyl]phenol?
The IUPAC name of 4-[(E,3E)-3-[(3,5-dichloro-2-pyridinyl)hydrazinylidene]but-1-enyl]phenol (CID 171982025) is 4-[(E,3E)-3-[(3,5-dichloro-2-pyridinyl)hydrazinylidene]but-1-enyl]phenol.
What is the SMILES notation for 4-[(E,3E)-3-[(3,5-dichloro-2-pyridinyl)hydrazinylidene]but-1-enyl]phenol?
The canonical SMILES for 4-[(E,3E)-3-[(3,5-dichloro-2-pyridinyl)hydrazinylidene]but-1-enyl]phenol is CC(/C=C/c1ccc(O)cc1)=N\Nc1ncc(Cl)cc1Cl.
What is the InChIKey of 4-[(E,3E)-3-[(3,5-dichloro-2-pyridinyl)hydrazinylidene]but-1-enyl]phenol?
The InChIKey is SZEBBGNLILSOGP-MQWSALKESA-N. The full InChI is InChI=1S/C15H13Cl2N3O/c1-10(2-3-11-4-6-13(21)7-5-11)19-20-15-14(17)8-12(16)9-18-15/h2-9,21H,1H3,(H,18,20)/b3-2+,19-10+.
What are the key properties of 4-[(E,3E)-3-[(3,5-dichloro-2-pyridinyl)hydrazinylidene]but-1-enyl]phenol?
4-[(E,3E)-3-[(3,5-dichloro-2-pyridinyl)hydrazinylidene]but-1-enyl]phenol has a molecular weight of 322.20 g/mol, XLogP of 4.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E,3E)-3-[(3,5-dichloro-2-pyridinyl)hydrazinylidene]but-1-enyl]phenol is sourced from PubChem (CID 171982025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).