2-[4-[(3-chloro-2-pyridinyl)oxy]phenoxy]propanoic acid

C14H12ClNO4 — CID 11323843

IUPAC2-[4-[(3-chloro-2-pyridinyl)oxy]phenoxy]propanoic acid
SMILESCC(Oc1ccc(Oc2ncccc2Cl)cc1)C(=O)O
InChIInChI=1S/C14H12ClNO4/c1-9(14(17)18)19-10-4-6-11(7-5-10)20-13-12(15)3-2-8-16-13/h2-9H,1H3,(H,17,18)
InChIKeyZNRPULPTDSQIMC-UHFFFAOYSA-N
MW293.71 g/mol
LogP3.38
Rot. Bonds5

About 2-[4-[(3-chloro-2-pyridinyl)oxy]phenoxy]propanoic acid

2-[4-[(3-chloro-2-pyridinyl)oxy]phenoxy]propanoic acid (PubChem CID 11323843) has the molecular formula C14H12ClNO4 and a molecular weight of 293.71 g/mol. Its IUPAC name is 2-[4-[(3-chloro-2-pyridinyl)oxy]phenoxy]propanoic acid.

Molecular Properties

Compound Name2-[4-[(3-chloro-2-pyridinyl)oxy]phenoxy]propanoic acid
PubChem CID11323843
Molecular FormulaC14H12ClNO4
Molecular Weight293.71 g/mol
Exact Mass293.05
IUPAC Name2-[4-[(3-chloro-2-pyridinyl)oxy]phenoxy]propanoic acid
SMILESCC(Oc1ccc(Oc2ncccc2Cl)cc1)C(=O)O
InChIInChI=1S/C14H12ClNO4/c1-9(14(17)18)19-10-4-6-11(7-5-10)20-13-12(15)3-2-8-16-13/h2-9H,1H3,(H,17,18)
InChIKeyZNRPULPTDSQIMC-UHFFFAOYSA-N
XLogP3.38
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.71
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(3-chloro-5-methyl-2-pyridinyl)oxy]phenoxy]propanoic acid
CID 90363096
2-[4-[(5-bromo-3-chloro-2-pyridinyl)oxy]phenoxy]propanoic acid
CID 19704700
N-(3-chloro-2-pyridinyl)-2-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenoxy]-N-methylpropanamide
CID 175078342
2-[4-[(3-amino-5-chloro-2-pyridinyl)oxy]phenoxy]propanoic acid
CID 11809022
CID 67929203
CID 67929203
(2R)-2-[4-(8-chloroquinolin-2-yl)oxyphenoxy]propanoic acid
CID 679744
[4-[(3-chloro-2-pyridinyl)oxy]phenyl] hydrogen sulfite
CID 57286074
2-(3,4-dichlorophenoxy)propanoic acid;ethane
CID 142915874
3-chloro-2-(4-iodophenoxy)pyridine
CID 61400161
(2S)-2-[4-(4-methylphenoxy)phenoxy]propanoic acid
CID 92960697
2-(4-propan-2-ylphenoxy)propanoic acid
CID 3252680
(2S)-2-(3-bromo-4-chlorophenoxy)propanoic acid
CID 138684246

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-chloro-2-pyridinyl)oxy]phenoxy]propanoic acid?
The IUPAC name of 2-[4-[(3-chloro-2-pyridinyl)oxy]phenoxy]propanoic acid (CID 11323843) is 2-[4-[(3-chloro-2-pyridinyl)oxy]phenoxy]propanoic acid.
What is the SMILES notation for 2-[4-[(3-chloro-2-pyridinyl)oxy]phenoxy]propanoic acid?
The canonical SMILES for 2-[4-[(3-chloro-2-pyridinyl)oxy]phenoxy]propanoic acid is CC(Oc1ccc(Oc2ncccc2Cl)cc1)C(=O)O.
What is the InChIKey of 2-[4-[(3-chloro-2-pyridinyl)oxy]phenoxy]propanoic acid?
The InChIKey is ZNRPULPTDSQIMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO4/c1-9(14(17)18)19-10-4-6-11(7-5-10)20-13-12(15)3-2-8-16-13/h2-9H,1H3,(H,17,18).
What are the key properties of 2-[4-[(3-chloro-2-pyridinyl)oxy]phenoxy]propanoic acid?
2-[4-[(3-chloro-2-pyridinyl)oxy]phenoxy]propanoic acid has a molecular weight of 293.71 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-chloro-2-pyridinyl)oxy]phenoxy]propanoic acid is sourced from PubChem (CID 11323843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).