3-fluoro-5-morpholin-4-ylpyridine-2-carboxylic acid

C10H11FN2O3 — CID 126482643

IUPAC3-fluoro-5-morpholin-4-ylpyridine-2-carboxylic acid
SMILESO=C(O)c1ncc(N2CCOCC2)cc1F
InChIInChI=1S/C10H11FN2O3/c11-8-5-7(6-12-9(8)10(14)15)13-1-3-16-4-2-13/h5-6H,1-4H2,(H,14,15)
InChIKeyRSMYMIDPSRPUDD-UHFFFAOYSA-N
MW226.21 g/mol
LogP0.76
Rot. Bonds2

About 3-fluoro-5-morpholin-4-ylpyridine-2-carboxylic acid

3-fluoro-5-morpholin-4-ylpyridine-2-carboxylic acid (PubChem CID 126482643) has the molecular formula C10H11FN2O3 and a molecular weight of 226.21 g/mol. Its IUPAC name is 3-fluoro-5-morpholin-4-ylpyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-fluoro-5-morpholin-4-ylpyridine-2-carboxylic acid
PubChem CID126482643
Molecular FormulaC10H11FN2O3
Molecular Weight226.21 g/mol
Exact Mass226.08
IUPAC Name3-fluoro-5-morpholin-4-ylpyridine-2-carboxylic acid
SMILESO=C(O)c1ncc(N2CCOCC2)cc1F
InChIInChI=1S/C10H11FN2O3/c11-8-5-7(6-12-9(8)10(14)15)13-1-3-16-4-2-13/h5-6H,1-4H2,(H,14,15)
InChIKeyRSMYMIDPSRPUDD-UHFFFAOYSA-N
XLogP0.76
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.21
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-morpholin-4-ylpyridine-2-carboxylic acid?
The IUPAC name of 3-fluoro-5-morpholin-4-ylpyridine-2-carboxylic acid (CID 126482643) is 3-fluoro-5-morpholin-4-ylpyridine-2-carboxylic acid.
What is the SMILES notation for 3-fluoro-5-morpholin-4-ylpyridine-2-carboxylic acid?
The canonical SMILES for 3-fluoro-5-morpholin-4-ylpyridine-2-carboxylic acid is O=C(O)c1ncc(N2CCOCC2)cc1F.
What is the InChIKey of 3-fluoro-5-morpholin-4-ylpyridine-2-carboxylic acid?
The InChIKey is RSMYMIDPSRPUDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2O3/c11-8-5-7(6-12-9(8)10(14)15)13-1-3-16-4-2-13/h5-6H,1-4H2,(H,14,15).
What are the key properties of 3-fluoro-5-morpholin-4-ylpyridine-2-carboxylic acid?
3-fluoro-5-morpholin-4-ylpyridine-2-carboxylic acid has a molecular weight of 226.21 g/mol, XLogP of 0.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-morpholin-4-ylpyridine-2-carboxylic acid is sourced from PubChem (CID 126482643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).