2-[2,3-dichloro-4-(5-cyano-3-ethyl-6-methoxy-2-pyridinyl)phenoxy]acetic acid

C17H14Cl2N2O4 — CID 10762374

IUPAC2-[2,3-dichloro-4-(5-cyano-3-ethyl-6-methoxy-2-pyridinyl)phenoxy]acetic acid
SMILESCCc1cc(C#N)c(OC)nc1-c1ccc(OCC(=O)O)c(Cl)c1Cl
InChIInChI=1S/C17H14Cl2N2O4/c1-3-9-6-10(7-20)17(24-2)21-16(9)11-4-5-12(15(19)14(11)18)25-8-13(22)23/h4-6H,3,8H2,1-2H3,(H,22,23)
InChIKeyPOTKXBYUOAGURT-UHFFFAOYSA-N
MW381.22 g/mol
LogP3.96
Rot. Bonds6

About 2-[2,3-dichloro-4-(5-cyano-3-ethyl-6-methoxy-2-pyridinyl)phenoxy]acetic acid

2-[2,3-dichloro-4-(5-cyano-3-ethyl-6-methoxy-2-pyridinyl)phenoxy]acetic acid (PubChem CID 10762374) has the molecular formula C17H14Cl2N2O4 and a molecular weight of 381.22 g/mol. Its IUPAC name is 2-[2,3-dichloro-4-(5-cyano-3-ethyl-6-methoxy-2-pyridinyl)phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2,3-dichloro-4-(5-cyano-3-ethyl-6-methoxy-2-pyridinyl)phenoxy]acetic acid
PubChem CID10762374
Molecular FormulaC17H14Cl2N2O4
Molecular Weight381.22 g/mol
Exact Mass380.03
IUPAC Name2-[2,3-dichloro-4-(5-cyano-3-ethyl-6-methoxy-2-pyridinyl)phenoxy]acetic acid
SMILESCCc1cc(C#N)c(OC)nc1-c1ccc(OCC(=O)O)c(Cl)c1Cl
InChIInChI=1S/C17H14Cl2N2O4/c1-3-9-6-10(7-20)17(24-2)21-16(9)11-4-5-12(15(19)14(11)18)25-8-13(22)23/h4-6H,3,8H2,1-2H3,(H,22,23)
InChIKeyPOTKXBYUOAGURT-UHFFFAOYSA-N
XLogP3.96
TPSA92.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.22
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(6-bromo-1,2-benzoxazol-3-yl)-2,3-dichlorophenoxy]acetic acid
CID 20533977
2-[4-[5-[2-[4-(carboxymethoxy)-2,3-dichlorobenzoyl]butyl]-3-ethylfuran-2-yl]-2,3-dichlorophenoxy]acetic acid
CID 15110842
2-(2,3-dichloro-4-hydroxyphenoxy)acetic acid
CID 14496899
2-(2,3-dichloro-4-thiophen-2-ylphenoxy)acetic acid
CID 70446965
2-(5-chloro-6-ethylpyrimidin-4-yl)oxyacetic acid
CID 18700276
2-(5-chloro-4-cyano-2-ethylphenyl)acetic acid
CID 131410900
2-(4-cyano-2-propan-2-ylphenoxy)acetic acid
CID 126600902
2-(2,3-dichlorophenoxy)acetic acid;ethanol
CID 174851678
2-[2,3-dichloro-4-(5-methyl-3-oxocyclohexen-1-yl)phenoxy]acetic acid
CID 70453710
2-[4-(2-bromoacetyl)-2-methoxyphenoxy]acetic acid
CID 140988709
2-[2-methoxy-4-(2-methylpropanoyl)phenoxy]acetic acid
CID 154135736
6-(4-ethylphenyl)-2-methoxy-5-(4-methylsulfonylphenyl)pyridine-3-carbonitrile
CID 70271927

Frequently Asked Questions

What is the IUPAC name of 2-[2,3-dichloro-4-(5-cyano-3-ethyl-6-methoxy-2-pyridinyl)phenoxy]acetic acid?
The IUPAC name of 2-[2,3-dichloro-4-(5-cyano-3-ethyl-6-methoxy-2-pyridinyl)phenoxy]acetic acid (CID 10762374) is 2-[2,3-dichloro-4-(5-cyano-3-ethyl-6-methoxy-2-pyridinyl)phenoxy]acetic acid.
What is the SMILES notation for 2-[2,3-dichloro-4-(5-cyano-3-ethyl-6-methoxy-2-pyridinyl)phenoxy]acetic acid?
The canonical SMILES for 2-[2,3-dichloro-4-(5-cyano-3-ethyl-6-methoxy-2-pyridinyl)phenoxy]acetic acid is CCc1cc(C#N)c(OC)nc1-c1ccc(OCC(=O)O)c(Cl)c1Cl.
What is the InChIKey of 2-[2,3-dichloro-4-(5-cyano-3-ethyl-6-methoxy-2-pyridinyl)phenoxy]acetic acid?
The InChIKey is POTKXBYUOAGURT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N2O4/c1-3-9-6-10(7-20)17(24-2)21-16(9)11-4-5-12(15(19)14(11)18)25-8-13(22)23/h4-6H,3,8H2,1-2H3,(H,22,23).
What are the key properties of 2-[2,3-dichloro-4-(5-cyano-3-ethyl-6-methoxy-2-pyridinyl)phenoxy]acetic acid?
2-[2,3-dichloro-4-(5-cyano-3-ethyl-6-methoxy-2-pyridinyl)phenoxy]acetic acid has a molecular weight of 381.22 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,3-dichloro-4-(5-cyano-3-ethyl-6-methoxy-2-pyridinyl)phenoxy]acetic acid is sourced from PubChem (CID 10762374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).