methyl 4-(3,6-dichloropyridine-2-carbonyl)morpholine-3-carboxylate

C12H12Cl2N2O4 — CID 115669971

IUPACmethyl 4-(3,6-dichloropyridine-2-carbonyl)morpholine-3-carboxylate
SMILESCOC(=O)C1COCCN1C(=O)c1nc(Cl)ccc1Cl
InChIInChI=1S/C12H12Cl2N2O4/c1-19-12(18)8-6-20-5-4-16(8)11(17)10-7(13)2-3-9(14)15-10/h2-3,8H,4-6H2,1H3
InChIKeyDJXJEAQZPBYDNP-UHFFFAOYSA-N
MW319.14 g/mol
LogP1.40
Rot. Bonds2

About methyl 4-(3,6-dichloropyridine-2-carbonyl)morpholine-3-carboxylate

methyl 4-(3,6-dichloropyridine-2-carbonyl)morpholine-3-carboxylate (PubChem CID 115669971) has the molecular formula C12H12Cl2N2O4 and a molecular weight of 319.14 g/mol. Its IUPAC name is methyl 4-(3,6-dichloropyridine-2-carbonyl)morpholine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-(3,6-dichloropyridine-2-carbonyl)morpholine-3-carboxylate
PubChem CID115669971
Molecular FormulaC12H12Cl2N2O4
Molecular Weight319.14 g/mol
Exact Mass318.02
IUPAC Namemethyl 4-(3,6-dichloropyridine-2-carbonyl)morpholine-3-carboxylate
SMILESCOC(=O)C1COCCN1C(=O)c1nc(Cl)ccc1Cl
InChIInChI=1S/C12H12Cl2N2O4/c1-19-12(18)8-6-20-5-4-16(8)11(17)10-7(13)2-3-9(14)15-10/h2-3,8H,4-6H2,1H3
InChIKeyDJXJEAQZPBYDNP-UHFFFAOYSA-N
XLogP1.40
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.14
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(3,6-dichloro-2-pyridinyl)-(3-ethylmorpholin-4-yl)methanone
CID 43613155
methyl 4-(3-chlorothiophene-2-carbonyl)morpholine-3-carboxylate
CID 104774896
methyl 4-(4-chloropyridine-2-carbonyl)morpholine-3-carboxylate
CID 115670216
methyl 4-(4-chloro-2,5-difluorobenzoyl)morpholine-3-carboxylate
CID 115868973
methyl 4-(3-chlorobenzoyl)morpholine-3-carboxylate
CID 113247579
methyl 4-(4-chloro-1,3-thiazol-2-yl)morpholine-3-carboxylate
CID 104775148
methyl 4-(4-methyl-1,2-oxazole-5-carbonyl)morpholine-3-carboxylate
CID 115670360
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

Frequently Asked Questions

What is the IUPAC name of methyl 4-(3,6-dichloropyridine-2-carbonyl)morpholine-3-carboxylate?
The IUPAC name of methyl 4-(3,6-dichloropyridine-2-carbonyl)morpholine-3-carboxylate (CID 115669971) is methyl 4-(3,6-dichloropyridine-2-carbonyl)morpholine-3-carboxylate.
What is the SMILES notation for methyl 4-(3,6-dichloropyridine-2-carbonyl)morpholine-3-carboxylate?
The canonical SMILES for methyl 4-(3,6-dichloropyridine-2-carbonyl)morpholine-3-carboxylate is COC(=O)C1COCCN1C(=O)c1nc(Cl)ccc1Cl.
What is the InChIKey of methyl 4-(3,6-dichloropyridine-2-carbonyl)morpholine-3-carboxylate?
The InChIKey is DJXJEAQZPBYDNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N2O4/c1-19-12(18)8-6-20-5-4-16(8)11(17)10-7(13)2-3-9(14)15-10/h2-3,8H,4-6H2,1H3.
What are the key properties of methyl 4-(3,6-dichloropyridine-2-carbonyl)morpholine-3-carboxylate?
methyl 4-(3,6-dichloropyridine-2-carbonyl)morpholine-3-carboxylate has a molecular weight of 319.14 g/mol, XLogP of 1.40, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(3,6-dichloropyridine-2-carbonyl)morpholine-3-carboxylate is sourced from PubChem (CID 115669971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).