5-(6-ethylpyrimidin-4-yl)oxypyridine-3-carboxylic acid

C12H11N3O3 — CID 63852581

IUPAC5-(6-ethylpyrimidin-4-yl)oxypyridine-3-carboxylic acid
SMILESCCc1cc(Oc2cncc(C(=O)O)c2)ncn1
InChIInChI=1S/C12H11N3O3/c1-2-9-4-11(15-7-14-9)18-10-3-8(12(16)17)5-13-6-10/h3-7H,2H2,1H3,(H,16,17)
InChIKeyIVSAMLAVROHXKQ-UHFFFAOYSA-N
MW245.24 g/mol
LogP1.92
Rot. Bonds4

About 5-(6-ethylpyrimidin-4-yl)oxypyridine-3-carboxylic acid

5-(6-ethylpyrimidin-4-yl)oxypyridine-3-carboxylic acid (PubChem CID 63852581) has the molecular formula C12H11N3O3 and a molecular weight of 245.24 g/mol. Its IUPAC name is 5-(6-ethylpyrimidin-4-yl)oxypyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-(6-ethylpyrimidin-4-yl)oxypyridine-3-carboxylic acid
PubChem CID63852581
Molecular FormulaC12H11N3O3
Molecular Weight245.24 g/mol
Exact Mass245.08
IUPAC Name5-(6-ethylpyrimidin-4-yl)oxypyridine-3-carboxylic acid
SMILESCCc1cc(Oc2cncc(C(=O)O)c2)ncn1
InChIInChI=1S/C12H11N3O3/c1-2-9-4-11(15-7-14-9)18-10-3-8(12(16)17)5-13-6-10/h3-7H,2H2,1H3,(H,16,17)
InChIKeyIVSAMLAVROHXKQ-UHFFFAOYSA-N
XLogP1.92
TPSA85.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(6-ethylpyrimidin-4-yl)oxypyridine-3-carboxylic acid?
The IUPAC name of 5-(6-ethylpyrimidin-4-yl)oxypyridine-3-carboxylic acid (CID 63852581) is 5-(6-ethylpyrimidin-4-yl)oxypyridine-3-carboxylic acid.
What is the SMILES notation for 5-(6-ethylpyrimidin-4-yl)oxypyridine-3-carboxylic acid?
The canonical SMILES for 5-(6-ethylpyrimidin-4-yl)oxypyridine-3-carboxylic acid is CCc1cc(Oc2cncc(C(=O)O)c2)ncn1.
What is the InChIKey of 5-(6-ethylpyrimidin-4-yl)oxypyridine-3-carboxylic acid?
The InChIKey is IVSAMLAVROHXKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O3/c1-2-9-4-11(15-7-14-9)18-10-3-8(12(16)17)5-13-6-10/h3-7H,2H2,1H3,(H,16,17).
What are the key properties of 5-(6-ethylpyrimidin-4-yl)oxypyridine-3-carboxylic acid?
5-(6-ethylpyrimidin-4-yl)oxypyridine-3-carboxylic acid has a molecular weight of 245.24 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-ethylpyrimidin-4-yl)oxypyridine-3-carboxylic acid is sourced from PubChem (CID 63852581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).