4-morpholin-4-ylpyridine-2-carboxylic acid;hydrochloride

C10H13ClN2O3 — CID 45073642

IUPAC4-morpholin-4-ylpyridine-2-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1cc(N2CCOCC2)ccn1
InChIInChI=1S/C10H12N2O3.ClH/c13-10(14)9-7-8(1-2-11-9)12-3-5-15-6-4-12;/h1-2,7H,3-6H2,(H,13,14);1H
InChIKeyBYBSZAWOQUXYBY-UHFFFAOYSA-N
MW244.68 g/mol
LogP1.04
Rot. Bonds2

About 4-morpholin-4-ylpyridine-2-carboxylic acid;hydrochloride

4-morpholin-4-ylpyridine-2-carboxylic acid;hydrochloride (PubChem CID 45073642) has the molecular formula C10H13ClN2O3 and a molecular weight of 244.68 g/mol. Its IUPAC name is 4-morpholin-4-ylpyridine-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name4-morpholin-4-ylpyridine-2-carboxylic acid;hydrochloride
PubChem CID45073642
Molecular FormulaC10H13ClN2O3
Molecular Weight244.68 g/mol
Exact Mass244.06
IUPAC Name4-morpholin-4-ylpyridine-2-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1cc(N2CCOCC2)ccn1
InChIInChI=1S/C10H12N2O3.ClH/c13-10(14)9-7-8(1-2-11-9)12-3-5-15-6-4-12;/h1-2,7H,3-6H2,(H,13,14);1H
InChIKeyBYBSZAWOQUXYBY-UHFFFAOYSA-N
XLogP1.04
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.68
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-ylpyridine-2-carboxylic acid;hydrochloride?
The IUPAC name of 4-morpholin-4-ylpyridine-2-carboxylic acid;hydrochloride (CID 45073642) is 4-morpholin-4-ylpyridine-2-carboxylic acid;hydrochloride.
What is the SMILES notation for 4-morpholin-4-ylpyridine-2-carboxylic acid;hydrochloride?
The canonical SMILES for 4-morpholin-4-ylpyridine-2-carboxylic acid;hydrochloride is Cl.O=C(O)c1cc(N2CCOCC2)ccn1.
What is the InChIKey of 4-morpholin-4-ylpyridine-2-carboxylic acid;hydrochloride?
The InChIKey is BYBSZAWOQUXYBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3.ClH/c13-10(14)9-7-8(1-2-11-9)12-3-5-15-6-4-12;/h1-2,7H,3-6H2,(H,13,14);1H.
What are the key properties of 4-morpholin-4-ylpyridine-2-carboxylic acid;hydrochloride?
4-morpholin-4-ylpyridine-2-carboxylic acid;hydrochloride has a molecular weight of 244.68 g/mol, XLogP of 1.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-ylpyridine-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 45073642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).