methyl 2-fluoro-5-pyrrolidin-1-ylpyridine-3-carboxylate

C11H13FN2O2 — CID 171084326

IUPACmethyl 2-fluoro-5-pyrrolidin-1-ylpyridine-3-carboxylate
SMILESCOC(=O)c1cc(N2CCCC2)cnc1F
InChIInChI=1S/C11H13FN2O2/c1-16-11(15)9-6-8(7-13-10(9)12)14-4-2-3-5-14/h6-7H,2-5H2,1H3
InChIKeyZGHJRBOFVWXGSL-UHFFFAOYSA-N
MW224.23 g/mol
LogP1.61
Rot. Bonds2

About methyl 2-fluoro-5-pyrrolidin-1-ylpyridine-3-carboxylate

methyl 2-fluoro-5-pyrrolidin-1-ylpyridine-3-carboxylate (PubChem CID 171084326) has the molecular formula C11H13FN2O2 and a molecular weight of 224.23 g/mol. Its IUPAC name is methyl 2-fluoro-5-pyrrolidin-1-ylpyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-fluoro-5-pyrrolidin-1-ylpyridine-3-carboxylate
PubChem CID171084326
Molecular FormulaC11H13FN2O2
Molecular Weight224.23 g/mol
Exact Mass224.10
IUPAC Namemethyl 2-fluoro-5-pyrrolidin-1-ylpyridine-3-carboxylate
SMILESCOC(=O)c1cc(N2CCCC2)cnc1F
InChIInChI=1S/C11H13FN2O2/c1-16-11(15)9-6-8(7-13-10(9)12)14-4-2-3-5-14/h6-7H,2-5H2,1H3
InChIKeyZGHJRBOFVWXGSL-UHFFFAOYSA-N
XLogP1.61
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.23
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-fluoro-5-iodopyridine-3-carboxylate
CID 130882926
dimethyl 3-hydroxy-5-pyrrolidin-1-ylbenzene-1,2-dicarboxylate
CID 12785601
dimethyl 4-pyrrolidin-1-ylpyridine-2,6-dicarboxylate
CID 138673928
methyl 2-fluoro-5-(trifluoromethyl)pyridine-3-carboxylate
CID 118704463
methyl 5-(2,6-dichlorophenyl)-2-fluoropyridine-3-carboxylate
CID 133090529
methyl 5-amino-2-(azocan-1-yl)pyridine-4-carboxylate
CID 114090049
ethane;methyl 2-methylsulfonyl-4-piperidin-1-ylbenzoate;propane
CID 145014951
methyl 2-butoxy-5-piperidin-1-ylbenzoate
CID 70668646
methyl 2-cyano-5-pyrrolidin-1-ylpyridine-4-carboxylate
CID 118695826
methyl 4-amino-2-piperidin-1-ylpyrimidine-5-carboxylate;hydrochloride
CID 3078702
methyl 1-(azepan-1-yl)isoquinoline-4-carboxylate
CID 15998604
methyl 5-chloro-3-iodo-2-pyrrolidin-1-ylbenzoate
CID 168515668

Frequently Asked Questions

What is the IUPAC name of methyl 2-fluoro-5-pyrrolidin-1-ylpyridine-3-carboxylate?
The IUPAC name of methyl 2-fluoro-5-pyrrolidin-1-ylpyridine-3-carboxylate (CID 171084326) is methyl 2-fluoro-5-pyrrolidin-1-ylpyridine-3-carboxylate.
What is the SMILES notation for methyl 2-fluoro-5-pyrrolidin-1-ylpyridine-3-carboxylate?
The canonical SMILES for methyl 2-fluoro-5-pyrrolidin-1-ylpyridine-3-carboxylate is COC(=O)c1cc(N2CCCC2)cnc1F.
What is the InChIKey of methyl 2-fluoro-5-pyrrolidin-1-ylpyridine-3-carboxylate?
The InChIKey is ZGHJRBOFVWXGSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O2/c1-16-11(15)9-6-8(7-13-10(9)12)14-4-2-3-5-14/h6-7H,2-5H2,1H3.
What are the key properties of methyl 2-fluoro-5-pyrrolidin-1-ylpyridine-3-carboxylate?
methyl 2-fluoro-5-pyrrolidin-1-ylpyridine-3-carboxylate has a molecular weight of 224.23 g/mol, XLogP of 1.61, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-fluoro-5-pyrrolidin-1-ylpyridine-3-carboxylate is sourced from PubChem (CID 171084326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).