1,3-dichlorobenzene;4-ethenylpyridine;2-ethoxyacetic acid

C17H19Cl2NO3 — CID 174624868

IUPAC1,3-dichlorobenzene;4-ethenylpyridine;2-ethoxyacetic acid
SMILESC=Cc1ccncc1.CCOCC(=O)O.Clc1cccc(Cl)c1
InChIInChI=1S/C7H7N.C6H4Cl2.C4H8O3/c1-2-7-3-5-8-6-4-7;7-5-2-1-3-6(8)4-5;1-2-7-3-4(5)6/h2-6H,1H2;1-4H;2-3H2,1H3,(H,5,6)
InChIKeyUARWOHABMCPWRK-UHFFFAOYSA-N
MW356.25 g/mol
LogP4.83
Rot. Bonds4

About 1,3-dichlorobenzene;4-ethenylpyridine;2-ethoxyacetic acid

1,3-dichlorobenzene;4-ethenylpyridine;2-ethoxyacetic acid (PubChem CID 174624868) has the molecular formula C17H19Cl2NO3 and a molecular weight of 356.25 g/mol. Its IUPAC name is 1,3-dichlorobenzene;4-ethenylpyridine;2-ethoxyacetic acid.

Molecular Properties

Compound Name1,3-dichlorobenzene;4-ethenylpyridine;2-ethoxyacetic acid
PubChem CID174624868
Molecular FormulaC17H19Cl2NO3
Molecular Weight356.25 g/mol
Exact Mass355.07
IUPAC Name1,3-dichlorobenzene;4-ethenylpyridine;2-ethoxyacetic acid
SMILESC=Cc1ccncc1.CCOCC(=O)O.Clc1cccc(Cl)c1
InChIInChI=1S/C7H7N.C6H4Cl2.C4H8O3/c1-2-7-3-5-8-6-4-7;7-5-2-1-3-6(8)4-5;1-2-7-3-4(5)6/h2-6H,1H2;1-4H;2-3H2,1H3,(H,5,6)
InChIKeyUARWOHABMCPWRK-UHFFFAOYSA-N
XLogP4.83
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.25
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

copper;1,2-dichlorobenzene;2-ethoxyacetic acid
CID 174669659
benzene;bis(4-ethenylpyridine)
CID 175139970
2-(2,4-dichlorophenoxy)acetate;2-(2,4-dichlorophenoxy)acetic acid;4-ethenylpyridine;4-ethenylpyridin-1-ium
CID 158365582
1-(3-chlorophenyl)-2-(ethoxymethyl)prop-2-en-1-one
CID 164761370
1-(3-chlorophenoxy)-3-ethoxypropan-2-one
CID 114553807
dichloromethane;2-ethoxyacetic acid
CID 87359195
4-ethenylpyridine;nitroxyl
CID 157255604
4-ethenylpyridine;trihydrobromide
CID 67161394
1-ethenyl-2-ethylbenzene;4-ethenylpyridine
CID 175575615
acetic acid;1,3-dichlorobenzene;hydrate
CID 118105432
2-[2-[3-(3-chlorophenyl)prop-2-enoylamino]ethoxy]acetic acid
CID 79457995
2-(3-chlorophenyl)-N-(pyridin-4-ylmethylideneamino)acetamide
CID 90766440

Frequently Asked Questions

What is the IUPAC name of 1,3-dichlorobenzene;4-ethenylpyridine;2-ethoxyacetic acid?
The IUPAC name of 1,3-dichlorobenzene;4-ethenylpyridine;2-ethoxyacetic acid (CID 174624868) is 1,3-dichlorobenzene;4-ethenylpyridine;2-ethoxyacetic acid.
What is the SMILES notation for 1,3-dichlorobenzene;4-ethenylpyridine;2-ethoxyacetic acid?
The canonical SMILES for 1,3-dichlorobenzene;4-ethenylpyridine;2-ethoxyacetic acid is C=Cc1ccncc1.CCOCC(=O)O.Clc1cccc(Cl)c1.
What is the InChIKey of 1,3-dichlorobenzene;4-ethenylpyridine;2-ethoxyacetic acid?
The InChIKey is UARWOHABMCPWRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N.C6H4Cl2.C4H8O3/c1-2-7-3-5-8-6-4-7;7-5-2-1-3-6(8)4-5;1-2-7-3-4(5)6/h2-6H,1H2;1-4H;2-3H2,1H3,(H,5,6).
What are the key properties of 1,3-dichlorobenzene;4-ethenylpyridine;2-ethoxyacetic acid?
1,3-dichlorobenzene;4-ethenylpyridine;2-ethoxyacetic acid has a molecular weight of 356.25 g/mol, XLogP of 4.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichlorobenzene;4-ethenylpyridine;2-ethoxyacetic acid is sourced from PubChem (CID 174624868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).