4-(4-chloropyridine-3-carbonyl)morpholine-3-carboxylic acid

C11H11ClN2O4 — CID 114036870

IUPAC4-(4-chloropyridine-3-carbonyl)morpholine-3-carboxylic acid
SMILESO=C(O)C1COCCN1C(=O)c1cnccc1Cl
InChIInChI=1S/C11H11ClN2O4/c12-8-1-2-13-5-7(8)10(15)14-3-4-18-6-9(14)11(16)17/h1-2,5,9H,3-4,6H2,(H,16,17)
InChIKeyVYESVKGUKVYXOU-UHFFFAOYSA-N
MW270.67 g/mol
LogP0.66
Rot. Bonds2

About 4-(4-chloropyridine-3-carbonyl)morpholine-3-carboxylic acid

4-(4-chloropyridine-3-carbonyl)morpholine-3-carboxylic acid (PubChem CID 114036870) has the molecular formula C11H11ClN2O4 and a molecular weight of 270.67 g/mol. Its IUPAC name is 4-(4-chloropyridine-3-carbonyl)morpholine-3-carboxylic acid.

Molecular Properties

Compound Name4-(4-chloropyridine-3-carbonyl)morpholine-3-carboxylic acid
PubChem CID114036870
Molecular FormulaC11H11ClN2O4
Molecular Weight270.67 g/mol
Exact Mass270.04
IUPAC Name4-(4-chloropyridine-3-carbonyl)morpholine-3-carboxylic acid
SMILESO=C(O)C1COCCN1C(=O)c1cnccc1Cl
InChIInChI=1S/C11H11ClN2O4/c12-8-1-2-13-5-7(8)10(15)14-3-4-18-6-9(14)11(16)17/h1-2,5,9H,3-4,6H2,(H,16,17)
InChIKeyVYESVKGUKVYXOU-UHFFFAOYSA-N
XLogP0.66
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.67
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-bromopyridine-4-carbonyl)morpholine-3-carboxylic acid
CID 120521701
(3S)-4-(pyridine-4-carbonyl)morpholine-3-carboxylic acid
CID 124513224
(3R)-4-[1-(2-chlorophenyl)-5-methylpyrazole-4-carbonyl]morpholine-3-carboxylic acid
CID 125151497
(3S)-4-[2-(2-chlorophenyl)-1,3-thiazole-5-carbonyl]morpholine-3-carboxylic acid
CID 125153686
(3S)-4-(5-chlorothiophene-2-carbonyl)morpholine-3-carboxylic acid
CID 124513737
(4-chloro-3-pyridinyl)-(1,4-oxazepan-4-yl)methanone
CID 81226471
(3S)-4-(2-ethylbenzoyl)morpholine-3-carboxylic acid
CID 124596295
1-(3-chloropyridine-4-carbonyl)piperidine-2-carboxylic acid
CID 66462594
methyl 4-(3-fluoropyridine-4-carbonyl)morpholine-3-carboxylate
CID 115670106
(3R)-4-(5-chloro-2-pyrrolidin-1-ylpyrimidine-4-carbonyl)morpholine-3-carboxylic acid
CID 125152988
4-(3,6-dimethylpyridazine-4-carbonyl)morpholine-3-carboxylic acid
CID 113439193
4-(6-bromopyridine-3-carbonyl)morpholine-3-carboxylic acid
CID 66462467

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloropyridine-3-carbonyl)morpholine-3-carboxylic acid?
The IUPAC name of 4-(4-chloropyridine-3-carbonyl)morpholine-3-carboxylic acid (CID 114036870) is 4-(4-chloropyridine-3-carbonyl)morpholine-3-carboxylic acid.
What is the SMILES notation for 4-(4-chloropyridine-3-carbonyl)morpholine-3-carboxylic acid?
The canonical SMILES for 4-(4-chloropyridine-3-carbonyl)morpholine-3-carboxylic acid is O=C(O)C1COCCN1C(=O)c1cnccc1Cl.
What is the InChIKey of 4-(4-chloropyridine-3-carbonyl)morpholine-3-carboxylic acid?
The InChIKey is VYESVKGUKVYXOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O4/c12-8-1-2-13-5-7(8)10(15)14-3-4-18-6-9(14)11(16)17/h1-2,5,9H,3-4,6H2,(H,16,17).
What are the key properties of 4-(4-chloropyridine-3-carbonyl)morpholine-3-carboxylic acid?
4-(4-chloropyridine-3-carbonyl)morpholine-3-carboxylic acid has a molecular weight of 270.67 g/mol, XLogP of 0.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloropyridine-3-carbonyl)morpholine-3-carboxylic acid is sourced from PubChem (CID 114036870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).