2-[4-(4-pyridin-2-ylpyrimidin-2-yl)phenoxy]acetic acid

C17H13N3O3 — CID 2767852

IUPAC2-[4-(4-pyridin-2-ylpyrimidin-2-yl)phenoxy]acetic acid
SMILESO=C(O)COc1ccc(-c2nccc(-c3ccccn3)n2)cc1
InChIInChI=1S/C17H13N3O3/c21-16(22)11-23-13-6-4-12(5-7-13)17-19-10-8-15(20-17)14-3-1-2-9-18-14/h1-10H,11H2,(H,21,22)
InChIKeyOEJMQJJFVSPMNU-UHFFFAOYSA-N
MW307.31 g/mol
LogP2.67
Rot. Bonds5

About 2-[4-(4-pyridin-2-ylpyrimidin-2-yl)phenoxy]acetic acid

2-[4-(4-pyridin-2-ylpyrimidin-2-yl)phenoxy]acetic acid (PubChem CID 2767852) has the molecular formula C17H13N3O3 and a molecular weight of 307.31 g/mol. Its IUPAC name is 2-[4-(4-pyridin-2-ylpyrimidin-2-yl)phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-(4-pyridin-2-ylpyrimidin-2-yl)phenoxy]acetic acid
PubChem CID2767852
Molecular FormulaC17H13N3O3
Molecular Weight307.31 g/mol
Exact Mass307.10
IUPAC Name2-[4-(4-pyridin-2-ylpyrimidin-2-yl)phenoxy]acetic acid
SMILESO=C(O)COc1ccc(-c2nccc(-c3ccccn3)n2)cc1
InChIInChI=1S/C17H13N3O3/c21-16(22)11-23-13-6-4-12(5-7-13)17-19-10-8-15(20-17)14-3-1-2-9-18-14/h1-10H,11H2,(H,21,22)
InChIKeyOEJMQJJFVSPMNU-UHFFFAOYSA-N
XLogP2.67
TPSA85.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Methyl 2-{4-[4-(4-fluorophenyl)-2-pyrimidinyl]phenoxy}propanoate
CID 2767784
Methyl 2-{4-[4-(2-pyridinyl)-2-pyrimidinyl]phenoxy}acetate
CID 2767825
3-Fluoropropyl 4-[4-(2-pyridinyl)-2-pyrimidinyl]phenyl ether
CID 4673337
1-[2-[4-Methoxy-3-(2-phenylethoxy)phenyl]ethyl]-4-pyridin-2-ylpiperazine;oxalic acid
CID 18986912
4-(4-Methoxyphenyl)-2-(4-pyridinyl)pyrimidine
CID 2810255
Methyl 2-{4-[4-(4-bromophenyl)-2-pyrimidinyl]phenoxy}acetate
CID 1475120
4-[4-(4-Methoxyphenyl)-2-pyrimidinyl]benzenol
CID 1479927
4-(4-Fluorophenyl)-2-[4-(3-fluoropropoxy)phenyl]pyrimidine
CID 2767762
3-Fluoropropyl 4-(2-phenyl-4-pyrimidinyl)phenyl ether
CID 3693151
N-(3-methoxypropyl)-2-{4-[4-(2-pyridinyl)-2-pyrimidinyl]phenoxy}acetamide
CID 4252590
4-[4-(Pyridin-2-yl)pyrimidin-2-yl]phenol
CID 2767798
Methyl 2-{4-[4-(2-pyridinyl)-2-pyrimidinyl]phenoxy}propanoate
CID 3773770

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-pyridin-2-ylpyrimidin-2-yl)phenoxy]acetic acid?
The IUPAC name of 2-[4-(4-pyridin-2-ylpyrimidin-2-yl)phenoxy]acetic acid (CID 2767852) is 2-[4-(4-pyridin-2-ylpyrimidin-2-yl)phenoxy]acetic acid.
What is the SMILES notation for 2-[4-(4-pyridin-2-ylpyrimidin-2-yl)phenoxy]acetic acid?
The canonical SMILES for 2-[4-(4-pyridin-2-ylpyrimidin-2-yl)phenoxy]acetic acid is O=C(O)COc1ccc(-c2nccc(-c3ccccn3)n2)cc1.
What is the InChIKey of 2-[4-(4-pyridin-2-ylpyrimidin-2-yl)phenoxy]acetic acid?
The InChIKey is OEJMQJJFVSPMNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O3/c21-16(22)11-23-13-6-4-12(5-7-13)17-19-10-8-15(20-17)14-3-1-2-9-18-14/h1-10H,11H2,(H,21,22).
What are the key properties of 2-[4-(4-pyridin-2-ylpyrimidin-2-yl)phenoxy]acetic acid?
2-[4-(4-pyridin-2-ylpyrimidin-2-yl)phenoxy]acetic acid has a molecular weight of 307.31 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-pyridin-2-ylpyrimidin-2-yl)phenoxy]acetic acid is sourced from PubChem (CID 2767852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).