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

C10H10ClFN2O3 — CID 139405212

IUPAC5-chloro-3-fluoro-2-morpholin-4-ylpyridine-4-carboxylic acid
SMILESO=C(O)c1c(Cl)cnc(N2CCOCC2)c1F
InChIInChI=1S/C10H10ClFN2O3/c11-6-5-13-9(8(12)7(6)10(15)16)14-1-3-17-4-2-14/h5H,1-4H2,(H,15,16)
InChIKeyJCOVYBSJBNKKNR-UHFFFAOYSA-N
MW260.65 g/mol
LogP1.41
Rot. Bonds2

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

5-chloro-3-fluoro-2-morpholin-4-ylpyridine-4-carboxylic acid (PubChem CID 139405212) has the molecular formula C10H10ClFN2O3 and a molecular weight of 260.65 g/mol. Its IUPAC name is 5-chloro-3-fluoro-2-morpholin-4-ylpyridine-4-carboxylic acid.

Molecular Properties

Compound Name5-chloro-3-fluoro-2-morpholin-4-ylpyridine-4-carboxylic acid
PubChem CID139405212
Molecular FormulaC10H10ClFN2O3
Molecular Weight260.65 g/mol
Exact Mass260.04
IUPAC Name5-chloro-3-fluoro-2-morpholin-4-ylpyridine-4-carboxylic acid
SMILESO=C(O)c1c(Cl)cnc(N2CCOCC2)c1F
InChIInChI=1S/C10H10ClFN2O3/c11-6-5-13-9(8(12)7(6)10(15)16)14-1-3-17-4-2-14/h5H,1-4H2,(H,15,16)
InChIKeyJCOVYBSJBNKKNR-UHFFFAOYSA-N
XLogP1.41
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.65
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-fluoro-2-morpholin-4-ylpyridine-4-carboxylic acid?
The IUPAC name of 5-chloro-3-fluoro-2-morpholin-4-ylpyridine-4-carboxylic acid (CID 139405212) is 5-chloro-3-fluoro-2-morpholin-4-ylpyridine-4-carboxylic acid.
What is the SMILES notation for 5-chloro-3-fluoro-2-morpholin-4-ylpyridine-4-carboxylic acid?
The canonical SMILES for 5-chloro-3-fluoro-2-morpholin-4-ylpyridine-4-carboxylic acid is O=C(O)c1c(Cl)cnc(N2CCOCC2)c1F.
What is the InChIKey of 5-chloro-3-fluoro-2-morpholin-4-ylpyridine-4-carboxylic acid?
The InChIKey is JCOVYBSJBNKKNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClFN2O3/c11-6-5-13-9(8(12)7(6)10(15)16)14-1-3-17-4-2-14/h5H,1-4H2,(H,15,16).
What are the key properties of 5-chloro-3-fluoro-2-morpholin-4-ylpyridine-4-carboxylic acid?
5-chloro-3-fluoro-2-morpholin-4-ylpyridine-4-carboxylic acid has a molecular weight of 260.65 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-fluoro-2-morpholin-4-ylpyridine-4-carboxylic acid is sourced from PubChem (CID 139405212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).