2-[4-[(3-chloro-5-methyl-2-pyridinyl)oxy]phenoxy]propanoic acid

C15H14ClNO4 — CID 90363096

IUPAC2-[4-[(3-chloro-5-methyl-2-pyridinyl)oxy]phenoxy]propanoic acid
SMILESCc1cnc(Oc2ccc(OC(C)C(=O)O)cc2)c(Cl)c1
InChIInChI=1S/C15H14ClNO4/c1-9-7-13(16)14(17-8-9)21-12-5-3-11(4-6-12)20-10(2)15(18)19/h3-8,10H,1-2H3,(H,18,19)
InChIKeyDHUSGZOSUZVXNW-UHFFFAOYSA-N
MW307.73 g/mol
LogP3.69
Rot. Bonds5

About 2-[4-[(3-chloro-5-methyl-2-pyridinyl)oxy]phenoxy]propanoic acid

2-[4-[(3-chloro-5-methyl-2-pyridinyl)oxy]phenoxy]propanoic acid (PubChem CID 90363096) has the molecular formula C15H14ClNO4 and a molecular weight of 307.73 g/mol. Its IUPAC name is 2-[4-[(3-chloro-5-methyl-2-pyridinyl)oxy]phenoxy]propanoic acid.

Molecular Properties

Compound Name2-[4-[(3-chloro-5-methyl-2-pyridinyl)oxy]phenoxy]propanoic acid
PubChem CID90363096
Molecular FormulaC15H14ClNO4
Molecular Weight307.73 g/mol
Exact Mass307.06
IUPAC Name2-[4-[(3-chloro-5-methyl-2-pyridinyl)oxy]phenoxy]propanoic acid
SMILESCc1cnc(Oc2ccc(OC(C)C(=O)O)cc2)c(Cl)c1
InChIInChI=1S/C15H14ClNO4/c1-9-7-13(16)14(17-8-9)21-12-5-3-11(4-6-12)20-10(2)15(18)19/h3-8,10H,1-2H3,(H,18,19)
InChIKeyDHUSGZOSUZVXNW-UHFFFAOYSA-N
XLogP3.69
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.73
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(5-bromo-3-chloro-2-pyridinyl)oxy]phenoxy]propanoic acid
CID 19704700
ethyl 2-[4-[(3-chloro-5-methyl-2-pyridinyl)oxy]phenoxy]propanoate
CID 67661567
2-[4-[(3-chloro-2-pyridinyl)oxy]phenoxy]propanoic acid
CID 11323843
2-(4-butan-2-yloxyphenoxy)-3-chloro-5-methylpyridine
CID 89433011
2-[4-[(3-amino-5-chloro-2-pyridinyl)oxy]phenoxy]propanoic acid
CID 11809022
CID 67929203
CID 67929203
2-[4-[(5-bromo-3-fluoro-2-pyridinyl)oxy]phenoxy]propanoic acid
CID 15592839
(2S)-2-[4-(4-methylphenoxy)phenoxy]propanoic acid
CID 92960697
2-(3,4-dichlorophenoxy)propanoic acid;ethane
CID 142915874
(2S)-2-(3-bromo-4-chlorophenoxy)propanoic acid
CID 138684246
2-[4-(4-methylphenyl)phenoxy]propanoic acid
CID 16769111
2-[4-(2,4-dichloro-6-hydroxyphenoxy)phenoxy]propanoic acid
CID 71391068

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-chloro-5-methyl-2-pyridinyl)oxy]phenoxy]propanoic acid?
The IUPAC name of 2-[4-[(3-chloro-5-methyl-2-pyridinyl)oxy]phenoxy]propanoic acid (CID 90363096) is 2-[4-[(3-chloro-5-methyl-2-pyridinyl)oxy]phenoxy]propanoic acid.
What is the SMILES notation for 2-[4-[(3-chloro-5-methyl-2-pyridinyl)oxy]phenoxy]propanoic acid?
The canonical SMILES for 2-[4-[(3-chloro-5-methyl-2-pyridinyl)oxy]phenoxy]propanoic acid is Cc1cnc(Oc2ccc(OC(C)C(=O)O)cc2)c(Cl)c1.
What is the InChIKey of 2-[4-[(3-chloro-5-methyl-2-pyridinyl)oxy]phenoxy]propanoic acid?
The InChIKey is DHUSGZOSUZVXNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO4/c1-9-7-13(16)14(17-8-9)21-12-5-3-11(4-6-12)20-10(2)15(18)19/h3-8,10H,1-2H3,(H,18,19).
What are the key properties of 2-[4-[(3-chloro-5-methyl-2-pyridinyl)oxy]phenoxy]propanoic acid?
2-[4-[(3-chloro-5-methyl-2-pyridinyl)oxy]phenoxy]propanoic acid has a molecular weight of 307.73 g/mol, XLogP of 3.69, 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-5-methyl-2-pyridinyl)oxy]phenoxy]propanoic acid is sourced from PubChem (CID 90363096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).