2-[3-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]acetic acid

C13H9Cl2NO3 — CID 61398001

IUPAC2-[3-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]acetic acid
SMILESO=C(O)Cc1cccc(Oc2ncc(Cl)cc2Cl)c1
InChIInChI=1S/C13H9Cl2NO3/c14-9-6-11(15)13(16-7-9)19-10-3-1-2-8(4-10)5-12(17)18/h1-4,6-7H,5H2,(H,17,18)
InChIKeySAUZOQSWZCEGKK-UHFFFAOYSA-N
MW298.12 g/mol
LogP3.81
Rot. Bonds4

About 2-[3-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]acetic acid

2-[3-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]acetic acid (PubChem CID 61398001) has the molecular formula C13H9Cl2NO3 and a molecular weight of 298.12 g/mol. Its IUPAC name is 2-[3-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]acetic acid
PubChem CID61398001
Molecular FormulaC13H9Cl2NO3
Molecular Weight298.12 g/mol
Exact Mass297.00
IUPAC Name2-[3-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]acetic acid
SMILESO=C(O)Cc1cccc(Oc2ncc(Cl)cc2Cl)c1
InChIInChI=1S/C13H9Cl2NO3/c14-9-6-11(15)13(16-7-9)19-10-3-1-2-8(4-10)5-12(17)18/h1-4,6-7H,5H2,(H,17,18)
InChIKeySAUZOQSWZCEGKK-UHFFFAOYSA-N
XLogP3.81
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.12
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]methanol
CID 79869651
3,5-dichloro-2-(3-chlorophenoxy)pyridine
CID 91013057
2-[3-(5-fluoropyrimidin-2-yl)oxyphenyl]acetic acid
CID 104606526
2-[3-(3-methoxyphenoxy)phenyl]acetic acid
CID 19421788
2-[3-[2-(4-chlorophenoxy)ethoxy]phenyl]acetic acid
CID 61398226
2-(3-quinazolin-4-yloxyphenyl)acetic acid
CID 61398015
2-[3-[(5-fluoro-2-pyridinyl)oxy]phenyl]acetic acid
CID 61398552
2-[3-[(3-bromo-5-nitro-2-pyridinyl)oxy]phenyl]acetic acid
CID 79531149
2-amino-5-[(3,5-dichloro-2-pyridinyl)oxy]benzoic acid
CID 43566444
2-[3-(bromomethoxy)phenyl]acetic acid
CID 151200250
2-[3-[3-(6-methoxy-3-pyridinyl)phenoxy]phenyl]acetic acid
CID 59803473
2-[3-(4-fluorophenoxy)phenyl]acetic acid
CID 138754182

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]acetic acid?
The IUPAC name of 2-[3-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]acetic acid (CID 61398001) is 2-[3-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]acetic acid.
What is the SMILES notation for 2-[3-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]acetic acid?
The canonical SMILES for 2-[3-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]acetic acid is O=C(O)Cc1cccc(Oc2ncc(Cl)cc2Cl)c1.
What is the InChIKey of 2-[3-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]acetic acid?
The InChIKey is SAUZOQSWZCEGKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2NO3/c14-9-6-11(15)13(16-7-9)19-10-3-1-2-8(4-10)5-12(17)18/h1-4,6-7H,5H2,(H,17,18).
What are the key properties of 2-[3-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]acetic acid?
2-[3-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]acetic acid has a molecular weight of 298.12 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]acetic acid is sourced from PubChem (CID 61398001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).