2-[4-[(2-methyl-3-pyridinyl)oxy]phenyl]acetic acid

C14H13NO3 — CID 71246278

IUPAC2-[4-[(2-methyl-3-pyridinyl)oxy]phenyl]acetic acid
SMILESCc1ncccc1Oc1ccc(CC(=O)O)cc1
InChIInChI=1S/C14H13NO3/c1-10-13(3-2-8-15-10)18-12-6-4-11(5-7-12)9-14(16)17/h2-8H,9H2,1H3,(H,16,17)
InChIKeyIXJPWNGDVHMZDE-UHFFFAOYSA-N
MW243.26 g/mol
LogP2.81
Rot. Bonds4

About 2-[4-[(2-methyl-3-pyridinyl)oxy]phenyl]acetic acid

2-[4-[(2-methyl-3-pyridinyl)oxy]phenyl]acetic acid (PubChem CID 71246278) has the molecular formula C14H13NO3 and a molecular weight of 243.26 g/mol. Its IUPAC name is 2-[4-[(2-methyl-3-pyridinyl)oxy]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[(2-methyl-3-pyridinyl)oxy]phenyl]acetic acid
PubChem CID71246278
Molecular FormulaC14H13NO3
Molecular Weight243.26 g/mol
Exact Mass243.09
IUPAC Name2-[4-[(2-methyl-3-pyridinyl)oxy]phenyl]acetic acid
SMILESCc1ncccc1Oc1ccc(CC(=O)O)cc1
InChIInChI=1S/C14H13NO3/c1-10-13(3-2-8-15-10)18-12-6-4-11(5-7-12)9-14(16)17/h2-8H,9H2,1H3,(H,16,17)
InChIKeyIXJPWNGDVHMZDE-UHFFFAOYSA-N
XLogP2.81
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(3-bromo-2-pyridinyl)oxy]phenyl]acetic acid
CID 61395505
2-[4-(6,7-dimethylquinolin-4-yl)oxyphenyl]acetic acid
CID 71122818
2-(4-pyridin-4-yloxyphenyl)acetic acid
CID 61395502
2-[4-(1,5-dimethylpyrazol-4-yl)oxyphenyl]acetic acid
CID 115055262
2-(4-pyridin-4-yloxyphenyl)acetic acid;hydrochloride
CID 71756945
2-[4-(7-methoxyquinolin-4-yl)oxyphenyl]acetic acid
CID 18456647
(1R)-1-[5-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]ethanol
CID 83125304
2-(4-hydroperoxyphenyl)acetic acid
CID 151534269
2-methyl-3-pyridin-3-yloxypyridine
CID 172764474
2-[2-[(3-methyl-2-pyridinyl)oxy]phenyl]acetic acid
CID 80741818
2-[4-(pyridin-2-ylmethoxy)phenyl]acetic acid
CID 18958983
2-[4-(4-methylsulfanylphenoxy)phenyl]acetic acid
CID 70507795

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-methyl-3-pyridinyl)oxy]phenyl]acetic acid?
The IUPAC name of 2-[4-[(2-methyl-3-pyridinyl)oxy]phenyl]acetic acid (CID 71246278) is 2-[4-[(2-methyl-3-pyridinyl)oxy]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[(2-methyl-3-pyridinyl)oxy]phenyl]acetic acid?
The canonical SMILES for 2-[4-[(2-methyl-3-pyridinyl)oxy]phenyl]acetic acid is Cc1ncccc1Oc1ccc(CC(=O)O)cc1.
What is the InChIKey of 2-[4-[(2-methyl-3-pyridinyl)oxy]phenyl]acetic acid?
The InChIKey is IXJPWNGDVHMZDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3/c1-10-13(3-2-8-15-10)18-12-6-4-11(5-7-12)9-14(16)17/h2-8H,9H2,1H3,(H,16,17).
What are the key properties of 2-[4-[(2-methyl-3-pyridinyl)oxy]phenyl]acetic acid?
2-[4-[(2-methyl-3-pyridinyl)oxy]phenyl]acetic acid has a molecular weight of 243.26 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-methyl-3-pyridinyl)oxy]phenyl]acetic acid is sourced from PubChem (CID 71246278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).