methyl 3-fluoro-3-(2-methoxy-4-pyridinyl)cyclobutane-1-carboxylate

C12H14FNO3 — CID 146212586

IUPACmethyl 3-fluoro-3-(2-methoxy-4-pyridinyl)cyclobutane-1-carboxylate
SMILESCOC(=O)C1CC(F)(c2ccnc(OC)c2)C1
InChIInChI=1S/C12H14FNO3/c1-16-10-5-9(3-4-14-10)12(13)6-8(7-12)11(15)17-2/h3-5,8H,6-7H2,1-2H3
InChIKeyUEBRCJQKFRCGGT-UHFFFAOYSA-N
MW239.25 g/mol
LogP1.84
Rot. Bonds3

About methyl 3-fluoro-3-(2-methoxy-4-pyridinyl)cyclobutane-1-carboxylate

methyl 3-fluoro-3-(2-methoxy-4-pyridinyl)cyclobutane-1-carboxylate (PubChem CID 146212586) has the molecular formula C12H14FNO3 and a molecular weight of 239.25 g/mol. Its IUPAC name is methyl 3-fluoro-3-(2-methoxy-4-pyridinyl)cyclobutane-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-fluoro-3-(2-methoxy-4-pyridinyl)cyclobutane-1-carboxylate
PubChem CID146212586
Molecular FormulaC12H14FNO3
Molecular Weight239.25 g/mol
Exact Mass239.10
IUPAC Namemethyl 3-fluoro-3-(2-methoxy-4-pyridinyl)cyclobutane-1-carboxylate
SMILESCOC(=O)C1CC(F)(c2ccnc(OC)c2)C1
InChIInChI=1S/C12H14FNO3/c1-16-10-5-9(3-4-14-10)12(13)6-8(7-12)11(15)17-2/h3-5,8H,6-7H2,1-2H3
InChIKeyUEBRCJQKFRCGGT-UHFFFAOYSA-N
XLogP1.84
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.25
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2-methoxy-4-pyridinyl)cyclopropyl]prop-2-enamide
CID 146095271
N-[(2-methoxy-4-pyridinyl)methyl]cyclopropanecarboxamide
CID 60715595
tert-butyl 3-hydroxy-3-(2-methoxy-4-pyridinyl)-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171957607
trans-methyl (1S,3S)-3-[(4-methyl-2-pyridinyl)oxy]cyclopentane-1-carboxylate
CID 178139036
1-(2-methoxy-4-pyridinyl)-8-oxatricyclo[3.2.1.02,4]octane-2-carboxamide
CID 156771635
(2-methoxy-4-pyridinyl)-(8-thiabicyclo[3.2.1]octan-3-yl)methanone
CID 171943402
methyl 2-cyclopropyl-2-(2-methoxy-4-pyridinyl)acetate
CID 175669708
N-cyclohexyl-2-methoxypyridine-4-carboxamide
CID 110848962
N-(3,3-dimethylcyclopentyl)-2-methoxypyridin-4-amine
CID 114547998
methyl 1-[2-(2-methoxyethoxy)pyridine-4-carbonyl]azetidine-3-carboxylate
CID 121017369
N-tert-butyl-1-(2-methoxy-4-pyridinyl)azetidine-3-carboxamide
CID 166602186
1-(2-ethoxy-4-pyridinyl)-3-fluorocyclobutan-1-ol
CID 135122221

Frequently Asked Questions

What is the IUPAC name of methyl 3-fluoro-3-(2-methoxy-4-pyridinyl)cyclobutane-1-carboxylate?
The IUPAC name of methyl 3-fluoro-3-(2-methoxy-4-pyridinyl)cyclobutane-1-carboxylate (CID 146212586) is methyl 3-fluoro-3-(2-methoxy-4-pyridinyl)cyclobutane-1-carboxylate.
What is the SMILES notation for methyl 3-fluoro-3-(2-methoxy-4-pyridinyl)cyclobutane-1-carboxylate?
The canonical SMILES for methyl 3-fluoro-3-(2-methoxy-4-pyridinyl)cyclobutane-1-carboxylate is COC(=O)C1CC(F)(c2ccnc(OC)c2)C1.
What is the InChIKey of methyl 3-fluoro-3-(2-methoxy-4-pyridinyl)cyclobutane-1-carboxylate?
The InChIKey is UEBRCJQKFRCGGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO3/c1-16-10-5-9(3-4-14-10)12(13)6-8(7-12)11(15)17-2/h3-5,8H,6-7H2,1-2H3.
What are the key properties of methyl 3-fluoro-3-(2-methoxy-4-pyridinyl)cyclobutane-1-carboxylate?
methyl 3-fluoro-3-(2-methoxy-4-pyridinyl)cyclobutane-1-carboxylate has a molecular weight of 239.25 g/mol, XLogP of 1.84, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-fluoro-3-(2-methoxy-4-pyridinyl)cyclobutane-1-carboxylate is sourced from PubChem (CID 146212586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).