methyl 4-(4-chloropyridine-2-carbonyl)morpholine-3-carboxylate

C12H13ClN2O4 — CID 115670216

IUPACmethyl 4-(4-chloropyridine-2-carbonyl)morpholine-3-carboxylate
SMILESCOC(=O)C1COCCN1C(=O)c1cc(Cl)ccn1
InChIInChI=1S/C12H13ClN2O4/c1-18-12(17)10-7-19-5-4-15(10)11(16)9-6-8(13)2-3-14-9/h2-3,6,10H,4-5,7H2,1H3
InChIKeySXMMUGLYQYNEEN-UHFFFAOYSA-N
MW284.70 g/mol
LogP0.75
Rot. Bonds2

About methyl 4-(4-chloropyridine-2-carbonyl)morpholine-3-carboxylate

methyl 4-(4-chloropyridine-2-carbonyl)morpholine-3-carboxylate (PubChem CID 115670216) has the molecular formula C12H13ClN2O4 and a molecular weight of 284.70 g/mol. Its IUPAC name is methyl 4-(4-chloropyridine-2-carbonyl)morpholine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-(4-chloropyridine-2-carbonyl)morpholine-3-carboxylate
PubChem CID115670216
Molecular FormulaC12H13ClN2O4
Molecular Weight284.70 g/mol
Exact Mass284.06
IUPAC Namemethyl 4-(4-chloropyridine-2-carbonyl)morpholine-3-carboxylate
SMILESCOC(=O)C1COCCN1C(=O)c1cc(Cl)ccn1
InChIInChI=1S/C12H13ClN2O4/c1-18-12(17)10-7-19-5-4-15(10)11(16)9-6-8(13)2-3-14-9/h2-3,6,10H,4-5,7H2,1H3
InChIKeySXMMUGLYQYNEEN-UHFFFAOYSA-N
XLogP0.75
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.70
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-(3-chlorobenzoyl)morpholine-3-carboxylate
CID 113247579
methyl 4-(3-chlorothiophene-2-carbonyl)morpholine-3-carboxylate
CID 104774896
methyl 4-(3,6-dichloropyridine-2-carbonyl)morpholine-3-carboxylate
CID 115669971
methyl 4-(7-chloroquinolin-4-yl)morpholine-3-carboxylate
CID 104775264
methyl 4-(4-chloro-2,5-difluorobenzoyl)morpholine-3-carboxylate
CID 115868973
methyl 4-(6-methoxypyridine-3-carbonyl)morpholine-3-carboxylate
CID 115670220
methyl (3R)-4-(3-hydroxy-4-methylbenzoyl)morpholine-3-carboxylate
CID 124603692
methyl 4-(4-amino-3-methylbenzoyl)morpholine-3-carboxylate
CID 104774380
methyl 4-(3-fluoropyridine-4-carbonyl)morpholine-3-carboxylate
CID 115670106
methyl 4-(3-amino-4-methylbenzoyl)morpholine-3-carboxylate
CID 104774364
methyl 4-(2,4-diaminobenzoyl)morpholine-3-carboxylate
CID 104774409
methyl 4-(3-chloro-2-pyridinyl)morpholine-3-carboxylate
CID 104775121

Frequently Asked Questions

What is the IUPAC name of methyl 4-(4-chloropyridine-2-carbonyl)morpholine-3-carboxylate?
The IUPAC name of methyl 4-(4-chloropyridine-2-carbonyl)morpholine-3-carboxylate (CID 115670216) is methyl 4-(4-chloropyridine-2-carbonyl)morpholine-3-carboxylate.
What is the SMILES notation for methyl 4-(4-chloropyridine-2-carbonyl)morpholine-3-carboxylate?
The canonical SMILES for methyl 4-(4-chloropyridine-2-carbonyl)morpholine-3-carboxylate is COC(=O)C1COCCN1C(=O)c1cc(Cl)ccn1.
What is the InChIKey of methyl 4-(4-chloropyridine-2-carbonyl)morpholine-3-carboxylate?
The InChIKey is SXMMUGLYQYNEEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O4/c1-18-12(17)10-7-19-5-4-15(10)11(16)9-6-8(13)2-3-14-9/h2-3,6,10H,4-5,7H2,1H3.
What are the key properties of methyl 4-(4-chloropyridine-2-carbonyl)morpholine-3-carboxylate?
methyl 4-(4-chloropyridine-2-carbonyl)morpholine-3-carboxylate has a molecular weight of 284.70 g/mol, XLogP of 0.75, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(4-chloropyridine-2-carbonyl)morpholine-3-carboxylate is sourced from PubChem (CID 115670216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).