2-chloro-6-morpholin-4-ylpyridine-4-carboxylic acid

C10H11ClN2O3 — CID 21430341

IUPAC2-chloro-6-morpholin-4-ylpyridine-4-carboxylic acid
SMILESO=C(O)c1cc(Cl)nc(N2CCOCC2)c1
InChIInChI=1S/C10H11ClN2O3/c11-8-5-7(10(14)15)6-9(12-8)13-1-3-16-4-2-13/h5-6H,1-4H2,(H,14,15)
InChIKeySXCMQRJYKRVMRV-UHFFFAOYSA-N
MW242.66 g/mol
LogP1.27
Rot. Bonds2

About 2-chloro-6-morpholin-4-ylpyridine-4-carboxylic acid

2-chloro-6-morpholin-4-ylpyridine-4-carboxylic acid (PubChem CID 21430341) has the molecular formula C10H11ClN2O3 and a molecular weight of 242.66 g/mol. Its IUPAC name is 2-chloro-6-morpholin-4-ylpyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-chloro-6-morpholin-4-ylpyridine-4-carboxylic acid
PubChem CID21430341
Molecular FormulaC10H11ClN2O3
Molecular Weight242.66 g/mol
Exact Mass242.05
IUPAC Name2-chloro-6-morpholin-4-ylpyridine-4-carboxylic acid
SMILESO=C(O)c1cc(Cl)nc(N2CCOCC2)c1
InChIInChI=1S/C10H11ClN2O3/c11-8-5-7(10(14)15)6-9(12-8)13-1-3-16-4-2-13/h5-6H,1-4H2,(H,14,15)
InChIKeySXCMQRJYKRVMRV-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-morpholin-4-ylpyridine-4-carboxylic acid?
The IUPAC name of 2-chloro-6-morpholin-4-ylpyridine-4-carboxylic acid (CID 21430341) is 2-chloro-6-morpholin-4-ylpyridine-4-carboxylic acid.
What is the SMILES notation for 2-chloro-6-morpholin-4-ylpyridine-4-carboxylic acid?
The canonical SMILES for 2-chloro-6-morpholin-4-ylpyridine-4-carboxylic acid is O=C(O)c1cc(Cl)nc(N2CCOCC2)c1.
What is the InChIKey of 2-chloro-6-morpholin-4-ylpyridine-4-carboxylic acid?
The InChIKey is SXCMQRJYKRVMRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O3/c11-8-5-7(10(14)15)6-9(12-8)13-1-3-16-4-2-13/h5-6H,1-4H2,(H,14,15).
What are the key properties of 2-chloro-6-morpholin-4-ylpyridine-4-carboxylic acid?
2-chloro-6-morpholin-4-ylpyridine-4-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 2-chloro-6-morpholin-4-ylpyridine-4-carboxylic acid is sourced from PubChem (CID 21430341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).