5-chloro-6-morpholin-4-ylpyridine-3-carboxylic acid

C10H11ClN2O3 — CID 19869906

IUPAC5-chloro-6-morpholin-4-ylpyridine-3-carboxylic acid
SMILESO=C(O)c1cnc(N2CCOCC2)c(Cl)c1
InChIInChI=1S/C10H11ClN2O3/c11-8-5-7(10(14)15)6-12-9(8)13-1-3-16-4-2-13/h5-6H,1-4H2,(H,14,15)
InChIKeyXFBOTZZNNGDKAR-UHFFFAOYSA-N
MW242.66 g/mol
LogP1.27
Rot. Bonds2

About 5-chloro-6-morpholin-4-ylpyridine-3-carboxylic acid

5-chloro-6-morpholin-4-ylpyridine-3-carboxylic acid (PubChem CID 19869906) has the molecular formula C10H11ClN2O3 and a molecular weight of 242.66 g/mol. Its IUPAC name is 5-chloro-6-morpholin-4-ylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-chloro-6-morpholin-4-ylpyridine-3-carboxylic acid
PubChem CID19869906
Molecular FormulaC10H11ClN2O3
Molecular Weight242.66 g/mol
Exact Mass242.05
IUPAC Name5-chloro-6-morpholin-4-ylpyridine-3-carboxylic acid
SMILESO=C(O)c1cnc(N2CCOCC2)c(Cl)c1
InChIInChI=1S/C10H11ClN2O3/c11-8-5-7(10(14)15)6-12-9(8)13-1-3-16-4-2-13/h5-6H,1-4H2,(H,14,15)
InChIKeyXFBOTZZNNGDKAR-UHFFFAOYSA-N
XLogP1.27
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.66
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-morpholin-4-ylpyridine-3-carboxylic acid?
The IUPAC name of 5-chloro-6-morpholin-4-ylpyridine-3-carboxylic acid (CID 19869906) is 5-chloro-6-morpholin-4-ylpyridine-3-carboxylic acid.
What is the SMILES notation for 5-chloro-6-morpholin-4-ylpyridine-3-carboxylic acid?
The canonical SMILES for 5-chloro-6-morpholin-4-ylpyridine-3-carboxylic acid is O=C(O)c1cnc(N2CCOCC2)c(Cl)c1.
What is the InChIKey of 5-chloro-6-morpholin-4-ylpyridine-3-carboxylic acid?
The InChIKey is XFBOTZZNNGDKAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O3/c11-8-5-7(10(14)15)6-12-9(8)13-1-3-16-4-2-13/h5-6H,1-4H2,(H,14,15).
What are the key properties of 5-chloro-6-morpholin-4-ylpyridine-3-carboxylic acid?
5-chloro-6-morpholin-4-ylpyridine-3-carboxylic acid has a molecular weight of 242.66 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-morpholin-4-ylpyridine-3-carboxylic acid is sourced from PubChem (CID 19869906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).