methyl (3R)-1-(2-fluoro-4-pyridinyl)pyrrolidine-3-carboxylate

C11H13FN2O2 — CID 129497903

IUPACmethyl (3R)-1-(2-fluoro-4-pyridinyl)pyrrolidine-3-carboxylate
SMILESCOC(=O)[C@@H]1CCN(c2ccnc(F)c2)C1
InChIInChI=1S/C11H13FN2O2/c1-16-11(15)8-3-5-14(7-8)9-2-4-13-10(12)6-9/h2,4,6,8H,3,5,7H2,1H3/t8-/m1/s1
InChIKeyQPALRDUUYOPMMZ-MRVPVSSYSA-N
MW224.23 g/mol
LogP1.22
Rot. Bonds2

About methyl (3R)-1-(2-fluoro-4-pyridinyl)pyrrolidine-3-carboxylate

methyl (3R)-1-(2-fluoro-4-pyridinyl)pyrrolidine-3-carboxylate (PubChem CID 129497903) has the molecular formula C11H13FN2O2 and a molecular weight of 224.23 g/mol. Its IUPAC name is methyl (3R)-1-(2-fluoro-4-pyridinyl)pyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl (3R)-1-(2-fluoro-4-pyridinyl)pyrrolidine-3-carboxylate
PubChem CID129497903
Molecular FormulaC11H13FN2O2
Molecular Weight224.23 g/mol
Exact Mass224.10
IUPAC Namemethyl (3R)-1-(2-fluoro-4-pyridinyl)pyrrolidine-3-carboxylate
SMILESCOC(=O)[C@@H]1CCN(c2ccnc(F)c2)C1
InChIInChI=1S/C11H13FN2O2/c1-16-11(15)8-3-5-14(7-8)9-2-4-13-10(12)6-9/h2,4,6,8H,3,5,7H2,1H3/t8-/m1/s1
InChIKeyQPALRDUUYOPMMZ-MRVPVSSYSA-N
XLogP1.22
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 ≤ 51.22
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 4-(3-methoxycarbonylpiperidin-1-yl)pyridine-2-carboxylate
CID 115538410
methyl 1-[2-(dimethylcarbamoyl)-4-pyridinyl]piperidine-3-carboxylate
CID 115538469
methyl 1-(3,4-dimethoxyphenyl)pyrrolidine-3-carboxylate
CID 83981204
methyl (3S)-1-(3-chlorophenyl)pyrrolidine-3-carboxylate
CID 124638264
methyl 1-(3-acetylphenyl)pyrrolidine-3-carboxylate
CID 117028370
methyl 1-(4-bromophenyl)pyrrolidine-3-carboxylate
CID 83981693
methyl 1-(4-aminopyrimidin-2-yl)pyrrolidine-3-carboxylate
CID 116797068
methyl 1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-3-carboxylate
CID 112731125
[(3R)-1-(2-fluoro-4-pyridinyl)pyrrolidin-3-yl]methanol
CID 129413791
ethane;methyl 1-(3,4-difluorophenyl)piperidine-4-carboxylate
CID 144968521
methyl (3S)-1-(6-fluoropyrazin-2-yl)pyrrolidine-3-carboxylate
CID 154635452
methyl 1-(3-fluoro-2-pyridinyl)piperidine-3-carboxylate
CID 115538419

Frequently Asked Questions

What is the IUPAC name of methyl (3R)-1-(2-fluoro-4-pyridinyl)pyrrolidine-3-carboxylate?
The IUPAC name of methyl (3R)-1-(2-fluoro-4-pyridinyl)pyrrolidine-3-carboxylate (CID 129497903) is methyl (3R)-1-(2-fluoro-4-pyridinyl)pyrrolidine-3-carboxylate.
What is the SMILES notation for methyl (3R)-1-(2-fluoro-4-pyridinyl)pyrrolidine-3-carboxylate?
The canonical SMILES for methyl (3R)-1-(2-fluoro-4-pyridinyl)pyrrolidine-3-carboxylate is COC(=O)[C@@H]1CCN(c2ccnc(F)c2)C1.
What is the InChIKey of methyl (3R)-1-(2-fluoro-4-pyridinyl)pyrrolidine-3-carboxylate?
The InChIKey is QPALRDUUYOPMMZ-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H13FN2O2/c1-16-11(15)8-3-5-14(7-8)9-2-4-13-10(12)6-9/h2,4,6,8H,3,5,7H2,1H3/t8-/m1/s1.
What are the key properties of methyl (3R)-1-(2-fluoro-4-pyridinyl)pyrrolidine-3-carboxylate?
methyl (3R)-1-(2-fluoro-4-pyridinyl)pyrrolidine-3-carboxylate has a molecular weight of 224.23 g/mol, XLogP of 1.22, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-1-(2-fluoro-4-pyridinyl)pyrrolidine-3-carboxylate is sourced from PubChem (CID 129497903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).