5-fluoro-2-[4-(3-oxomorpholin-4-yl)anilino]pyridine-3-carboxylic acid

C16H14FN3O4 — CID 11515464

IUPAC5-fluoro-2-[4-(3-oxomorpholin-4-yl)anilino]pyridine-3-carboxylic acid
SMILESO=C(O)c1cc(F)cnc1Nc1ccc(N2CCOCC2=O)cc1
InChIInChI=1S/C16H14FN3O4/c17-10-7-13(16(22)23)15(18-8-10)19-11-1-3-12(4-2-11)20-5-6-24-9-14(20)21/h1-4,7-8H,5-6,9H2,(H,18,19)(H,22,23)
InChIKeyHXJIMXFIMUOSLR-UHFFFAOYSA-N
MW331.30 g/mol
LogP2.03
Rot. Bonds4

About 5-fluoro-2-[4-(3-oxomorpholin-4-yl)anilino]pyridine-3-carboxylic acid

5-fluoro-2-[4-(3-oxomorpholin-4-yl)anilino]pyridine-3-carboxylic acid (PubChem CID 11515464) has the molecular formula C16H14FN3O4 and a molecular weight of 331.30 g/mol. Its IUPAC name is 5-fluoro-2-[4-(3-oxomorpholin-4-yl)anilino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-fluoro-2-[4-(3-oxomorpholin-4-yl)anilino]pyridine-3-carboxylic acid
PubChem CID11515464
Molecular FormulaC16H14FN3O4
Molecular Weight331.30 g/mol
Exact Mass331.10
IUPAC Name5-fluoro-2-[4-(3-oxomorpholin-4-yl)anilino]pyridine-3-carboxylic acid
SMILESO=C(O)c1cc(F)cnc1Nc1ccc(N2CCOCC2=O)cc1
InChIInChI=1S/C16H14FN3O4/c17-10-7-13(16(22)23)15(18-8-10)19-11-1-3-12(4-2-11)20-5-6-24-9-14(20)21/h1-4,7-8H,5-6,9H2,(H,18,19)(H,22,23)
InChIKeyHXJIMXFIMUOSLR-UHFFFAOYSA-N
XLogP2.03
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.30
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[4-(3-oxomorpholin-4-yl)anilino]pyridine-3-carboxylic acid?
The IUPAC name of 5-fluoro-2-[4-(3-oxomorpholin-4-yl)anilino]pyridine-3-carboxylic acid (CID 11515464) is 5-fluoro-2-[4-(3-oxomorpholin-4-yl)anilino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-fluoro-2-[4-(3-oxomorpholin-4-yl)anilino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-fluoro-2-[4-(3-oxomorpholin-4-yl)anilino]pyridine-3-carboxylic acid is O=C(O)c1cc(F)cnc1Nc1ccc(N2CCOCC2=O)cc1.
What is the InChIKey of 5-fluoro-2-[4-(3-oxomorpholin-4-yl)anilino]pyridine-3-carboxylic acid?
The InChIKey is HXJIMXFIMUOSLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O4/c17-10-7-13(16(22)23)15(18-8-10)19-11-1-3-12(4-2-11)20-5-6-24-9-14(20)21/h1-4,7-8H,5-6,9H2,(H,18,19)(H,22,23).
What are the key properties of 5-fluoro-2-[4-(3-oxomorpholin-4-yl)anilino]pyridine-3-carboxylic acid?
5-fluoro-2-[4-(3-oxomorpholin-4-yl)anilino]pyridine-3-carboxylic acid has a molecular weight of 331.30 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[4-(3-oxomorpholin-4-yl)anilino]pyridine-3-carboxylic acid is sourced from PubChem (CID 11515464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).