methyl 4-(3-methoxy-3-oxopropyl)pyridine-2-carboxylate

C11H13NO4 — CID 170989297

IUPACmethyl 4-(3-methoxy-3-oxopropyl)pyridine-2-carboxylate
SMILESCOC(=O)CCc1ccnc(C(=O)OC)c1
InChIInChI=1S/C11H13NO4/c1-15-10(13)4-3-8-5-6-12-9(7-8)11(14)16-2/h5-7H,3-4H2,1-2H3
InChIKeyGGQVOEQTSADOMH-UHFFFAOYSA-N
MW223.23 g/mol
LogP0.97
Rot. Bonds4

About methyl 4-(3-methoxy-3-oxopropyl)pyridine-2-carboxylate

methyl 4-(3-methoxy-3-oxopropyl)pyridine-2-carboxylate (PubChem CID 170989297) has the molecular formula C11H13NO4 and a molecular weight of 223.23 g/mol. Its IUPAC name is methyl 4-(3-methoxy-3-oxopropyl)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(3-methoxy-3-oxopropyl)pyridine-2-carboxylate
PubChem CID170989297
Molecular FormulaC11H13NO4
Molecular Weight223.23 g/mol
Exact Mass223.08
IUPAC Namemethyl 4-(3-methoxy-3-oxopropyl)pyridine-2-carboxylate
SMILESCOC(=O)CCc1ccnc(C(=O)OC)c1
InChIInChI=1S/C11H13NO4/c1-15-10(13)4-3-8-5-6-12-9(7-8)11(14)16-2/h5-7H,3-4H2,1-2H3
InChIKeyGGQVOEQTSADOMH-UHFFFAOYSA-N
XLogP0.97
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-(2-hydroxyethyl)pyridine-2-carboxylate
CID 15719002
methyl 3-pyridin-4-ylpropanoate
CID 3704115
methyl 3-[2-[4-(dimethylamino)-2-pyridinyl]-4-pyridinyl]propanoate
CID 170630320
methyl 4-[ethyl-(3-methoxy-3-oxopropyl)amino]pyridine-2-carboxylate
CID 66285535
methyl 4-methylpyridine-2-carboxylate
CID 10920693
methyl 3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-pyridinyl]propanoate
CID 22063539
chloroform;methane;methyl 4-ethylpyridine-2-carboxylate;methyl 4-(hydroxymethyl)pyridine-2-carboxylate
CID 164952426
methyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-2-carboxylate
CID 90375137
methyl 4-[3-(2-aminoethyl)phenyl]pyridine-2-carboxylate
CID 110282305
disodium;methyl 4-fluoropyridine-2-carboxylate;dichloride
CID 172849137
methyl 4-aminopyridine-2-carboxylate
CID 3759117
methyl 3-[3-(2-amino-4-pyridinyl)-4-methylphenyl]propanoate
CID 154658937

Frequently Asked Questions

What is the IUPAC name of methyl 4-(3-methoxy-3-oxopropyl)pyridine-2-carboxylate?
The IUPAC name of methyl 4-(3-methoxy-3-oxopropyl)pyridine-2-carboxylate (CID 170989297) is methyl 4-(3-methoxy-3-oxopropyl)pyridine-2-carboxylate.
What is the SMILES notation for methyl 4-(3-methoxy-3-oxopropyl)pyridine-2-carboxylate?
The canonical SMILES for methyl 4-(3-methoxy-3-oxopropyl)pyridine-2-carboxylate is COC(=O)CCc1ccnc(C(=O)OC)c1.
What is the InChIKey of methyl 4-(3-methoxy-3-oxopropyl)pyridine-2-carboxylate?
The InChIKey is GGQVOEQTSADOMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO4/c1-15-10(13)4-3-8-5-6-12-9(7-8)11(14)16-2/h5-7H,3-4H2,1-2H3.
What are the key properties of methyl 4-(3-methoxy-3-oxopropyl)pyridine-2-carboxylate?
methyl 4-(3-methoxy-3-oxopropyl)pyridine-2-carboxylate has a molecular weight of 223.23 g/mol, XLogP of 0.97, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(3-methoxy-3-oxopropyl)pyridine-2-carboxylate is sourced from PubChem (CID 170989297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).