2-(5-methoxy-2-pyridin-4-ylphenyl)acetic acid

C14H13NO3 — CID 11528862

IUPAC2-(5-methoxy-2-pyridin-4-ylphenyl)acetic acid
SMILESCOc1ccc(-c2ccncc2)c(CC(=O)O)c1
InChIInChI=1S/C14H13NO3/c1-18-12-2-3-13(10-4-6-15-7-5-10)11(8-12)9-14(16)17/h2-8H,9H2,1H3,(H,16,17)
InChIKeyZMMJJUDSBSSESQ-UHFFFAOYSA-N
MW243.26 g/mol
LogP2.38
Rot. Bonds4

About 2-(5-methoxy-2-pyridin-4-ylphenyl)acetic acid

2-(5-methoxy-2-pyridin-4-ylphenyl)acetic acid (PubChem CID 11528862) has the molecular formula C14H13NO3 and a molecular weight of 243.26 g/mol. Its IUPAC name is 2-(5-methoxy-2-pyridin-4-ylphenyl)acetic acid.

Molecular Properties

Compound Name2-(5-methoxy-2-pyridin-4-ylphenyl)acetic acid
PubChem CID11528862
Molecular FormulaC14H13NO3
Molecular Weight243.26 g/mol
Exact Mass243.09
IUPAC Name2-(5-methoxy-2-pyridin-4-ylphenyl)acetic acid
SMILESCOc1ccc(-c2ccncc2)c(CC(=O)O)c1
InChIInChI=1S/C14H13NO3/c1-18-12-2-3-13(10-4-6-15-7-5-10)11(8-12)9-14(16)17/h2-8H,9H2,1H3,(H,16,17)
InChIKeyZMMJJUDSBSSESQ-UHFFFAOYSA-N
XLogP2.38
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 ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-chloro-5-methoxyphenyl)pyridine
CID 46316938
2-[2-(2-aminoethyl)-4-methoxyphenyl]acetic acid
CID 168876495
2-[2-(3-methoxyphenyl)phenyl]acetic acid
CID 2759556
2-[4-(2-chloro-5-methoxyphenyl)phenyl]acetic acid
CID 54758883
2-[2-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-5-methoxyphenyl]acetic acid
CID 166242317
4-[2-(4-methoxyphenyl)phenyl]pyridine
CID 173342516
2-[4-(2-chloro-4-methoxyphenyl)pyrimidin-5-yl]acetic acid
CID 95482947
2-[3-(2,5-dimethoxyphenyl)pyrazin-2-yl]acetic acid
CID 82488923
5-methoxy-2-(4-methoxyphenyl)benzoic acid
CID 2060525
2-[4-methoxy-3-(4-methoxyphenyl)phenyl]acetic acid
CID 176513640
2-(5,6-dipyridin-4-yl-2-pyridinyl)acetic acid
CID 131870394
2-[4-(carboxymethyl)phenyl]acetic acid;4-pyridin-4-ylpyridine
CID 139087682

Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxy-2-pyridin-4-ylphenyl)acetic acid?
The IUPAC name of 2-(5-methoxy-2-pyridin-4-ylphenyl)acetic acid (CID 11528862) is 2-(5-methoxy-2-pyridin-4-ylphenyl)acetic acid.
What is the SMILES notation for 2-(5-methoxy-2-pyridin-4-ylphenyl)acetic acid?
The canonical SMILES for 2-(5-methoxy-2-pyridin-4-ylphenyl)acetic acid is COc1ccc(-c2ccncc2)c(CC(=O)O)c1.
What is the InChIKey of 2-(5-methoxy-2-pyridin-4-ylphenyl)acetic acid?
The InChIKey is ZMMJJUDSBSSESQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3/c1-18-12-2-3-13(10-4-6-15-7-5-10)11(8-12)9-14(16)17/h2-8H,9H2,1H3,(H,16,17).
What are the key properties of 2-(5-methoxy-2-pyridin-4-ylphenyl)acetic acid?
2-(5-methoxy-2-pyridin-4-ylphenyl)acetic acid has a molecular weight of 243.26 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxy-2-pyridin-4-ylphenyl)acetic acid is sourced from PubChem (CID 11528862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).