2-(2,4-dichlorophenyl)-3-hydroxyprop-2-enenitrile

C9H5Cl2NO — CID 1483069

IUPAC2-(2,4-dichlorophenyl)-3-hydroxyprop-2-enenitrile
SMILESN#CC(=CO)c1ccc(Cl)cc1Cl
InChIInChI=1S/C9H5Cl2NO/c10-7-1-2-8(9(11)3-7)6(4-12)5-13/h1-3,5,13H
InChIKeyJYYKWIXMUMUGGD-UHFFFAOYSA-N
MW214.05 g/mol
LogP3.42
Rot. Bonds1

About 2-(2,4-dichlorophenyl)-3-hydroxyprop-2-enenitrile

2-(2,4-dichlorophenyl)-3-hydroxyprop-2-enenitrile (PubChem CID 1483069) has the molecular formula C9H5Cl2NO and a molecular weight of 214.05 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-3-hydroxyprop-2-enenitrile.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-3-hydroxyprop-2-enenitrile
PubChem CID1483069
Molecular FormulaC9H5Cl2NO
Molecular Weight214.05 g/mol
Exact Mass212.97
IUPAC Name2-(2,4-dichlorophenyl)-3-hydroxyprop-2-enenitrile
SMILESN#CC(=CO)c1ccc(Cl)cc1Cl
InChIInChI=1S/C9H5Cl2NO/c10-7-1-2-8(9(11)3-7)6(4-12)5-13/h1-3,5,13H
InChIKeyJYYKWIXMUMUGGD-UHFFFAOYSA-N
XLogP3.42
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.05
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

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Related Compounds

(E)-2-(2,4-dichlorophenyl)hex-2-enenitrile
CID 119088707
3-(3-chloro-2-fluorophenyl)-2-(2,4-dichlorophenyl)prop-2-enenitrile
CID 67296942
(E)-2-(2,4-dichlorophenyl)-3-(3-methylthiophen-2-yl)prop-2-enenitrile
CID 955574
3-[4-bromo-5-(dimethylamino)furan-2-yl]-2-(2,4-dichlorophenyl)prop-2-enenitrile
CID 23737069
(Z)-2-(2,4-dichlorophenyl)-3-(3-nitrophenyl)prop-2-enenitrile
CID 6017129
(Z)-2-(2,4-dichlorophenyl)-3-(6-methoxy-3-pyridinyl)prop-2-enenitrile
CID 135042499
(Z)-2-(3,4-dichlorophenyl)-3-hydroxyprop-2-enenitrile
CID 12043333
4-[(Z)-2-[3,5-bis[(Z)-2-cyano-2-(2,4-dichlorophenyl)ethenyl]phenyl]-1-cyanoethenyl]-3-isocyanobenzonitrile
CID 156681919
1-(2,4-dichlorophenyl)ethylidenecyanamide
CID 10856813
4-[(Z)-1-cyano-2-(2,4-dichlorophenyl)ethenyl]benzonitrile
CID 967403
2-(4-bromophenyl)-3-(2,4-dichlorophenyl)prop-2-enenitrile
CID 3302131
(Z)-2-(4-chloro-2-fluorophenyl)-3-(4-chlorophenyl)prop-2-enenitrile
CID 167188628

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-3-hydroxyprop-2-enenitrile?
The IUPAC name of 2-(2,4-dichlorophenyl)-3-hydroxyprop-2-enenitrile (CID 1483069) is 2-(2,4-dichlorophenyl)-3-hydroxyprop-2-enenitrile.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-3-hydroxyprop-2-enenitrile?
The canonical SMILES for 2-(2,4-dichlorophenyl)-3-hydroxyprop-2-enenitrile is N#CC(=CO)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichlorophenyl)-3-hydroxyprop-2-enenitrile?
The InChIKey is JYYKWIXMUMUGGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5Cl2NO/c10-7-1-2-8(9(11)3-7)6(4-12)5-13/h1-3,5,13H.
What are the key properties of 2-(2,4-dichlorophenyl)-3-hydroxyprop-2-enenitrile?
2-(2,4-dichlorophenyl)-3-hydroxyprop-2-enenitrile has a molecular weight of 214.05 g/mol, XLogP of 3.42, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-3-hydroxyprop-2-enenitrile is sourced from PubChem (CID 1483069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).