2-[2-(2,4-dichlorophenyl)ethylidene]-1-pyridin-3-ylhexan-1-ol

C19H21Cl2NO — CID 54420935

IUPAC2-[2-(2,4-dichlorophenyl)ethylidene]-1-pyridin-3-ylhexan-1-ol
SMILESCCCCC(=CCc1ccc(Cl)cc1Cl)C(O)c1cccnc1
InChIInChI=1S/C19H21Cl2NO/c1-2-3-5-15(19(23)16-6-4-11-22-13-16)8-7-14-9-10-17(20)12-18(14)21/h4,6,8-13,19,23H,2-3,5,7H2,1H3
InChIKeyWASXJTZGDXBUFD-UHFFFAOYSA-N
MW350.29 g/mol
LogP5.78
Rot. Bonds7

About 2-[2-(2,4-dichlorophenyl)ethylidene]-1-pyridin-3-ylhexan-1-ol

2-[2-(2,4-dichlorophenyl)ethylidene]-1-pyridin-3-ylhexan-1-ol (PubChem CID 54420935) has the molecular formula C19H21Cl2NO and a molecular weight of 350.29 g/mol. Its IUPAC name is 2-[2-(2,4-dichlorophenyl)ethylidene]-1-pyridin-3-ylhexan-1-ol.

Molecular Properties

Compound Name2-[2-(2,4-dichlorophenyl)ethylidene]-1-pyridin-3-ylhexan-1-ol
PubChem CID54420935
Molecular FormulaC19H21Cl2NO
Molecular Weight350.29 g/mol
Exact Mass349.10
IUPAC Name2-[2-(2,4-dichlorophenyl)ethylidene]-1-pyridin-3-ylhexan-1-ol
SMILESCCCCC(=CCc1ccc(Cl)cc1Cl)C(O)c1cccnc1
InChIInChI=1S/C19H21Cl2NO/c1-2-3-5-15(19(23)16-6-4-11-22-13-16)8-7-14-9-10-17(20)12-18(14)21/h4,6,8-13,19,23H,2-3,5,7H2,1H3
InChIKeyWASXJTZGDXBUFD-UHFFFAOYSA-N
XLogP5.78
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.29
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-[2-(2,4-dichlorophenyl)-1-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyridine
CID 57301767
1-(2,4-dichlorophenyl)-N-(1-pyridin-3-ylethyl)propan-1-amine
CID 43503382
N-[1-(2,4-dichlorophenyl)ethyl]-1-pyridin-3-ylethanamine
CID 43193785
N-[(4-chloro-2-methylphenyl)methyl]-1-pyridin-3-ylethanamine
CID 104853862
(2R)-3-pyridin-3-ylbutan-2-ol
CID 57231816
2-[1-(4-chloro-2-fluorophenyl)prop-1-enyl]-3-(3-fluorophenyl)-4-methyl-1-pyridin-3-ylhex-2-en-1-ol
CID 91519784
(E)-1-(4-chlorophenyl)-2-[(3-chlorophenyl)methyl]-3-pyridin-3-ylprop-1-ene-1,3-diol
CID 143201409
3-amino-1-(4-butylphenyl)-3-(4-chlorophenyl)-2-[hydroxy(pyridin-3-yl)methyl]prop-2-en-1-one
CID 153035256
3-butan-2-ylsulfanyl-2-(2,4-dichlorophenyl)-2-methyl-3-pyridin-3-ylpropanoic acid
CID 172690319
2-(2,4-dichlorophenyl)-1,3-dipyridin-3-ylpropan-1-ol
CID 70510374
2-(2,5-dichlorophenyl)-1-pyridin-3-ylethanamine
CID 65321274
3-bromopyridine;1-(2,4-dichlorophenyl)propan-2-one
CID 160824374

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,4-dichlorophenyl)ethylidene]-1-pyridin-3-ylhexan-1-ol?
The IUPAC name of 2-[2-(2,4-dichlorophenyl)ethylidene]-1-pyridin-3-ylhexan-1-ol (CID 54420935) is 2-[2-(2,4-dichlorophenyl)ethylidene]-1-pyridin-3-ylhexan-1-ol.
What is the SMILES notation for 2-[2-(2,4-dichlorophenyl)ethylidene]-1-pyridin-3-ylhexan-1-ol?
The canonical SMILES for 2-[2-(2,4-dichlorophenyl)ethylidene]-1-pyridin-3-ylhexan-1-ol is CCCCC(=CCc1ccc(Cl)cc1Cl)C(O)c1cccnc1.
What is the InChIKey of 2-[2-(2,4-dichlorophenyl)ethylidene]-1-pyridin-3-ylhexan-1-ol?
The InChIKey is WASXJTZGDXBUFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2NO/c1-2-3-5-15(19(23)16-6-4-11-22-13-16)8-7-14-9-10-17(20)12-18(14)21/h4,6,8-13,19,23H,2-3,5,7H2,1H3.
What are the key properties of 2-[2-(2,4-dichlorophenyl)ethylidene]-1-pyridin-3-ylhexan-1-ol?
2-[2-(2,4-dichlorophenyl)ethylidene]-1-pyridin-3-ylhexan-1-ol has a molecular weight of 350.29 g/mol, XLogP of 5.78, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,4-dichlorophenyl)ethylidene]-1-pyridin-3-ylhexan-1-ol is sourced from PubChem (CID 54420935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).