(Z)-2-(2,4-dichlorophenyl)-3-(6-methoxy-3-pyridinyl)prop-2-enenitrile

C15H10Cl2N2O — CID 135042499

IUPAC(Z)-2-(2,4-dichlorophenyl)-3-(6-methoxy-3-pyridinyl)prop-2-enenitrile
SMILESCOc1ccc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cn1
InChIInChI=1S/C15H10Cl2N2O/c1-20-15-5-2-10(9-19-15)6-11(8-18)13-4-3-12(16)7-14(13)17/h2-7,9H,1H3/b11-6+
InChIKeyTYEQAUVVVTUCHV-IZZDOVSWSA-N
MW305.16 g/mol
LogP4.46
Rot. Bonds3

About (Z)-2-(2,4-dichlorophenyl)-3-(6-methoxy-3-pyridinyl)prop-2-enenitrile

(Z)-2-(2,4-dichlorophenyl)-3-(6-methoxy-3-pyridinyl)prop-2-enenitrile (PubChem CID 135042499) has the molecular formula C15H10Cl2N2O and a molecular weight of 305.16 g/mol. Its IUPAC name is (Z)-2-(2,4-dichlorophenyl)-3-(6-methoxy-3-pyridinyl)prop-2-enenitrile.

Molecular Properties

Compound Name(Z)-2-(2,4-dichlorophenyl)-3-(6-methoxy-3-pyridinyl)prop-2-enenitrile
PubChem CID135042499
Molecular FormulaC15H10Cl2N2O
Molecular Weight305.16 g/mol
Exact Mass304.02
IUPAC Name(Z)-2-(2,4-dichlorophenyl)-3-(6-methoxy-3-pyridinyl)prop-2-enenitrile
SMILESCOc1ccc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cn1
InChIInChI=1S/C15H10Cl2N2O/c1-20-15-5-2-10(9-19-15)6-11(8-18)13-4-3-12(16)7-14(13)17/h2-7,9H,1H3/b11-6+
InChIKeyTYEQAUVVVTUCHV-IZZDOVSWSA-N
XLogP4.46
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.16
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[(E)-2-cyano-2-(2,4-dichlorophenyl)ethenyl]-2-iodo-6-methoxyphenoxy]acetic acid
CID 124580024
2-(2,4-dichlorophenyl)-3-hydroxyprop-2-enenitrile
CID 1483069
(E)-2-(2,4-dichlorophenyl)hex-2-enenitrile
CID 119088707
2-(2-chlorophenyl)-3-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]prop-2-enenitrile
CID 5133631
(Z)-2-(4-chloro-2-fluorophenyl)-3-(4-chlorophenyl)prop-2-enenitrile
CID 167188628
2-(2-chlorophenyl)-3-(4-chlorophenyl)prop-2-enenitrile
CID 696764
(E)-2-(2,4-dichlorophenyl)-3-(3-methylthiophen-2-yl)prop-2-enenitrile
CID 955574
(Z)-2-(5-methoxy-3a,7a-dihydro-1H-indol-3-yl)-3-(6-methoxy-3-pyridinyl)prop-2-enenitrile
CID 130286743
3-[3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-2-(2,4-dichlorophenyl)prop-2-enenitrile
CID 4645544
(Z)-2-(2,4-dichlorophenyl)-3-(3-nitrophenyl)prop-2-enenitrile
CID 6017129
(E)-3-(3-fluorophenyl)-2-(6-methoxy-3-pyridinyl)prop-2-enenitrile
CID 58780780
(Z)-2-(2,4-dichlorophenyl)-3-(1-ethyl-2,2,4-trimethylquinolin-6-yl)prop-2-enenitrile
CID 50866023

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(2,4-dichlorophenyl)-3-(6-methoxy-3-pyridinyl)prop-2-enenitrile?
The IUPAC name of (Z)-2-(2,4-dichlorophenyl)-3-(6-methoxy-3-pyridinyl)prop-2-enenitrile (CID 135042499) is (Z)-2-(2,4-dichlorophenyl)-3-(6-methoxy-3-pyridinyl)prop-2-enenitrile.
What is the SMILES notation for (Z)-2-(2,4-dichlorophenyl)-3-(6-methoxy-3-pyridinyl)prop-2-enenitrile?
The canonical SMILES for (Z)-2-(2,4-dichlorophenyl)-3-(6-methoxy-3-pyridinyl)prop-2-enenitrile is COc1ccc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cn1.
What is the InChIKey of (Z)-2-(2,4-dichlorophenyl)-3-(6-methoxy-3-pyridinyl)prop-2-enenitrile?
The InChIKey is TYEQAUVVVTUCHV-IZZDOVSWSA-N. The full InChI is InChI=1S/C15H10Cl2N2O/c1-20-15-5-2-10(9-19-15)6-11(8-18)13-4-3-12(16)7-14(13)17/h2-7,9H,1H3/b11-6+.
What are the key properties of (Z)-2-(2,4-dichlorophenyl)-3-(6-methoxy-3-pyridinyl)prop-2-enenitrile?
(Z)-2-(2,4-dichlorophenyl)-3-(6-methoxy-3-pyridinyl)prop-2-enenitrile has a molecular weight of 305.16 g/mol, XLogP of 4.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(2,4-dichlorophenyl)-3-(6-methoxy-3-pyridinyl)prop-2-enenitrile is sourced from PubChem (CID 135042499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).