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2-[5-[(3-ethoxy-5-fluoro-2-pyridinyl)oxy]-3-pyridinyl]pyrimidine-5-carboxylic acid

C17H13FN4O4 — CID 134262723

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-[5-[(3-ethoxy-5-fluoro-2-pyridinyl)oxy]-3-pyridinyl]pyrimidine-5-carboxylic acid
SMILESCCOc1cc(F)cnc1Oc1cncc(-c2ncc(C(=O)O)cn2)c1
InChIInChI=1S/C17H13FN4O4/c1-2-25-14-4-12(18)8-22-16(14)26-13-3-10(5-19-9-13)15-20-6-11(7-21-15)17(23)24/h3-9H,2H2,1H3,(H,23,24)
InChIKeyRDCUJPGCZFYWES-UHFFFAOYSA-N
MW356.31 g/mol
LogP2.96
Rot. Bonds6

About 2-[5-[(3-ethoxy-5-fluoro-2-pyridinyl)oxy]-3-pyridinyl]pyrimidine-5-carboxylic acid

2-[5-[(3-ethoxy-5-fluoro-2-pyridinyl)oxy]-3-pyridinyl]pyrimidine-5-carboxylic acid (PubChem CID 134262723) has the molecular formula C17H13FN4O4 and a molecular weight of 356.31 g/mol. Its IUPAC name is 2-[5-[(3-ethoxy-5-fluoro-2-pyridinyl)oxy]-3-pyridinyl]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-[5-[(3-ethoxy-5-fluoro-2-pyridinyl)oxy]-3-pyridinyl]pyrimidine-5-carboxylic acid
PubChem CID134262723
Molecular FormulaC17H13FN4O4
Molecular Weight356.31 g/mol
Exact Mass356.09
IUPAC Name2-[5-[(3-ethoxy-5-fluoro-2-pyridinyl)oxy]-3-pyridinyl]pyrimidine-5-carboxylic acid
SMILESCCOc1cc(F)cnc1Oc1cncc(-c2ncc(C(=O)O)cn2)c1
InChIInChI=1S/C17H13FN4O4/c1-2-25-14-4-12(18)8-22-16(14)26-13-3-10(5-19-9-13)15-20-6-11(7-21-15)17(23)24/h3-9H,2H2,1H3,(H,23,24)
InChIKeyRDCUJPGCZFYWES-UHFFFAOYSA-N
XLogP2.96
TPSA107.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.31
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[(3-ethoxy-5-fluoro-2-pyridinyl)oxy]-3-pyridinyl]pyrimidine-5-carboxylic acid?
The IUPAC name of 2-[5-[(3-ethoxy-5-fluoro-2-pyridinyl)oxy]-3-pyridinyl]pyrimidine-5-carboxylic acid (CID 134262723) is 2-[5-[(3-ethoxy-5-fluoro-2-pyridinyl)oxy]-3-pyridinyl]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-[5-[(3-ethoxy-5-fluoro-2-pyridinyl)oxy]-3-pyridinyl]pyrimidine-5-carboxylic acid?
The canonical SMILES for 2-[5-[(3-ethoxy-5-fluoro-2-pyridinyl)oxy]-3-pyridinyl]pyrimidine-5-carboxylic acid is CCOc1cc(F)cnc1Oc1cncc(-c2ncc(C(=O)O)cn2)c1.
What is the InChIKey of 2-[5-[(3-ethoxy-5-fluoro-2-pyridinyl)oxy]-3-pyridinyl]pyrimidine-5-carboxylic acid?
The InChIKey is RDCUJPGCZFYWES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN4O4/c1-2-25-14-4-12(18)8-22-16(14)26-13-3-10(5-19-9-13)15-20-6-11(7-21-15)17(23)24/h3-9H,2H2,1H3,(H,23,24).
What are the key properties of 2-[5-[(3-ethoxy-5-fluoro-2-pyridinyl)oxy]-3-pyridinyl]pyrimidine-5-carboxylic acid?
2-[5-[(3-ethoxy-5-fluoro-2-pyridinyl)oxy]-3-pyridinyl]pyrimidine-5-carboxylic acid has a molecular weight of 356.31 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(3-ethoxy-5-fluoro-2-pyridinyl)oxy]-3-pyridinyl]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 134262723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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