2-phenoxypyrimidine-5-carboxylic acid

C11H8N2O3 — CID 68555610

IUPAC2-phenoxypyrimidine-5-carboxylic acid
SMILESO=C(O)c1cnc(Oc2ccccc2)nc1
InChIInChI=1S/C11H8N2O3/c14-10(15)8-6-12-11(13-7-8)16-9-4-2-1-3-5-9/h1-7H,(H,14,15)
InChIKeyRQZHEFKBUYPEGH-UHFFFAOYSA-N
MW216.20 g/mol
LogP1.97
Rot. Bonds3

About 2-phenoxypyrimidine-5-carboxylic acid

2-phenoxypyrimidine-5-carboxylic acid (PubChem CID 68555610) has the molecular formula C11H8N2O3 and a molecular weight of 216.20 g/mol. Its IUPAC name is 2-phenoxypyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-phenoxypyrimidine-5-carboxylic acid
PubChem CID68555610
Molecular FormulaC11H8N2O3
Molecular Weight216.20 g/mol
Exact Mass216.05
IUPAC Name2-phenoxypyrimidine-5-carboxylic acid
SMILESO=C(O)c1cnc(Oc2ccccc2)nc1
InChIInChI=1S/C11H8N2O3/c14-10(15)8-6-12-11(13-7-8)16-9-4-2-1-3-5-9/h1-7H,(H,14,15)
InChIKeyRQZHEFKBUYPEGH-UHFFFAOYSA-N
XLogP1.97
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.20
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-phenoxypyrimidine-5-carboxylic acid?
The IUPAC name of 2-phenoxypyrimidine-5-carboxylic acid (CID 68555610) is 2-phenoxypyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-phenoxypyrimidine-5-carboxylic acid?
The canonical SMILES for 2-phenoxypyrimidine-5-carboxylic acid is O=C(O)c1cnc(Oc2ccccc2)nc1.
What is the InChIKey of 2-phenoxypyrimidine-5-carboxylic acid?
The InChIKey is RQZHEFKBUYPEGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O3/c14-10(15)8-6-12-11(13-7-8)16-9-4-2-1-3-5-9/h1-7H,(H,14,15).
What are the key properties of 2-phenoxypyrimidine-5-carboxylic acid?
2-phenoxypyrimidine-5-carboxylic acid has a molecular weight of 216.20 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxypyrimidine-5-carboxylic acid is sourced from PubChem (CID 68555610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).