methyl 4-(3-fluoropyridine-4-carbonyl)morpholine-3-carboxylate

C12H13FN2O4 — CID 115670106

IUPACmethyl 4-(3-fluoropyridine-4-carbonyl)morpholine-3-carboxylate
SMILESCOC(=O)C1COCCN1C(=O)c1ccncc1F
InChIInChI=1S/C12H13FN2O4/c1-18-12(17)10-7-19-5-4-15(10)11(16)8-2-3-14-6-9(8)13/h2-3,6,10H,4-5,7H2,1H3
InChIKeyPHJUGYRRIOYHFG-UHFFFAOYSA-N
MW268.24 g/mol
LogP0.23
Rot. Bonds2

About methyl 4-(3-fluoropyridine-4-carbonyl)morpholine-3-carboxylate

methyl 4-(3-fluoropyridine-4-carbonyl)morpholine-3-carboxylate (PubChem CID 115670106) has the molecular formula C12H13FN2O4 and a molecular weight of 268.24 g/mol. Its IUPAC name is methyl 4-(3-fluoropyridine-4-carbonyl)morpholine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-(3-fluoropyridine-4-carbonyl)morpholine-3-carboxylate
PubChem CID115670106
Molecular FormulaC12H13FN2O4
Molecular Weight268.24 g/mol
Exact Mass268.09
IUPAC Namemethyl 4-(3-fluoropyridine-4-carbonyl)morpholine-3-carboxylate
SMILESCOC(=O)C1COCCN1C(=O)c1ccncc1F
InChIInChI=1S/C12H13FN2O4/c1-18-12(17)10-7-19-5-4-15(10)11(16)8-2-3-14-6-9(8)13/h2-3,6,10H,4-5,7H2,1H3
InChIKeyPHJUGYRRIOYHFG-UHFFFAOYSA-N
XLogP0.23
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.24
LogP ≤ 50.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-(4-chloro-2,5-difluorobenzoyl)morpholine-3-carboxylate
CID 115868973
methyl 4-(4-fluoro-2-hydroxybenzoyl)morpholine-3-carboxylate
CID 103889289
methyl 4-(2-fluoro-6-hydroxybenzoyl)morpholine-3-carboxylate
CID 104919956
methyl 4-(3-amino-2,6-difluorobenzoyl)morpholine-3-carboxylate
CID 104774422
methyl 4-(pyrazolo[1,5-a]pyridine-3-carbonyl)morpholine-3-carboxylate
CID 103719037
methyl 4-[(E)-3-pyridin-3-ylprop-2-enoyl]morpholine-3-carboxylate
CID 115670093
methyl 4-(2,4-diaminobenzoyl)morpholine-3-carboxylate
CID 104774409
4-(3-bromopyridine-4-carbonyl)morpholine-3-carboxylic acid
CID 120521701
methyl 4-(4-methyl-1,2-oxazole-5-carbonyl)morpholine-3-carboxylate
CID 115670360
methyl 4-(2-pyridin-4-ylsulfanylacetyl)morpholine-3-carboxylate
CID 115669932
methyl 4-(6-methoxypyridine-3-carbonyl)morpholine-3-carboxylate
CID 115670220
methyl 4-(2-amino-3-methoxybenzoyl)morpholine-3-carboxylate
CID 104774421

Frequently Asked Questions

What is the IUPAC name of methyl 4-(3-fluoropyridine-4-carbonyl)morpholine-3-carboxylate?
The IUPAC name of methyl 4-(3-fluoropyridine-4-carbonyl)morpholine-3-carboxylate (CID 115670106) is methyl 4-(3-fluoropyridine-4-carbonyl)morpholine-3-carboxylate.
What is the SMILES notation for methyl 4-(3-fluoropyridine-4-carbonyl)morpholine-3-carboxylate?
The canonical SMILES for methyl 4-(3-fluoropyridine-4-carbonyl)morpholine-3-carboxylate is COC(=O)C1COCCN1C(=O)c1ccncc1F.
What is the InChIKey of methyl 4-(3-fluoropyridine-4-carbonyl)morpholine-3-carboxylate?
The InChIKey is PHJUGYRRIOYHFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O4/c1-18-12(17)10-7-19-5-4-15(10)11(16)8-2-3-14-6-9(8)13/h2-3,6,10H,4-5,7H2,1H3.
What are the key properties of methyl 4-(3-fluoropyridine-4-carbonyl)morpholine-3-carboxylate?
methyl 4-(3-fluoropyridine-4-carbonyl)morpholine-3-carboxylate has a molecular weight of 268.24 g/mol, XLogP of 0.23, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(3-fluoropyridine-4-carbonyl)morpholine-3-carboxylate is sourced from PubChem (CID 115670106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).