(2-fluoro-3-pyridinyl) (2S)-2-[(2-fluoro-3-pyridinyl)oxymethyl]pyrrolidine-1-carboxylate

C16H15F2N3O3 — CID 174187814

IUPAC(2-fluoro-3-pyridinyl) (2S)-2-[(2-fluoro-3-pyridinyl)oxymethyl]pyrrolidine-1-carboxylate
SMILESO=C(Oc1cccnc1F)N1CCC[C@H]1COc1cccnc1F
InChIInChI=1S/C16H15F2N3O3/c17-14-12(5-1-7-19-14)23-10-11-4-3-9-21(11)16(22)24-13-6-2-8-20-15(13)18/h1-2,5-8,11H,3-4,9-10H2/t11-/m0/s1
InChIKeyWVFCKVRSPLNGBH-NSHDSACASA-N
MW335.31 g/mol
LogP2.80
Rot. Bonds4

About (2-fluoro-3-pyridinyl) (2S)-2-[(2-fluoro-3-pyridinyl)oxymethyl]pyrrolidine-1-carboxylate

(2-fluoro-3-pyridinyl) (2S)-2-[(2-fluoro-3-pyridinyl)oxymethyl]pyrrolidine-1-carboxylate (PubChem CID 174187814) has the molecular formula C16H15F2N3O3 and a molecular weight of 335.31 g/mol. Its IUPAC name is (2-fluoro-3-pyridinyl) (2S)-2-[(2-fluoro-3-pyridinyl)oxymethyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Name(2-fluoro-3-pyridinyl) (2S)-2-[(2-fluoro-3-pyridinyl)oxymethyl]pyrrolidine-1-carboxylate
PubChem CID174187814
Molecular FormulaC16H15F2N3O3
Molecular Weight335.31 g/mol
Exact Mass335.11
IUPAC Name(2-fluoro-3-pyridinyl) (2S)-2-[(2-fluoro-3-pyridinyl)oxymethyl]pyrrolidine-1-carboxylate
SMILESO=C(Oc1cccnc1F)N1CCC[C@H]1COc1cccnc1F
InChIInChI=1S/C16H15F2N3O3/c17-14-12(5-1-7-19-14)23-10-11-4-3-9-21(11)16(22)24-13-6-2-8-20-15(13)18/h1-2,5-8,11H,3-4,9-10H2/t11-/m0/s1
InChIKeyWVFCKVRSPLNGBH-NSHDSACASA-N
XLogP2.80
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.31
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl (2R)-2-[(2-carbamoyl-3-pyridinyl)oxymethyl]pyrrolidine-1-carboxylate
CID 66961823
tert-butyl 2-[(3-methyl-2-pyridinyl)oxymethyl]pyrrolidine-1-carboxylate
CID 156848237
3-[[1-(4,4-difluorocyclohexanecarbonyl)pyrrolidin-2-yl]methoxy]pyridine-2-carboxamide
CID 67774418
(2S)-2-[(4-fluorophenoxy)methyl]-N,N-dimethylpyrrolidine-1-carboxamide
CID 138053708
(1,5-dimethylpyrazol-4-yl)-[2-[(2-methyl-3-pyridinyl)oxymethyl]pyrrolidin-1-yl]methanone
CID 136548080
3-[[1-[4-(trifluoromethoxy)benzoyl]pyrrolidin-2-yl]methoxy]pyridine-2-carboxamide
CID 66961825
tert-butyl (2S)-2-[(3-cyano-2-pyridinyl)oxymethyl]piperidine-1-carboxylate
CID 97173574
3-[[(2R)-azetidin-2-yl]methoxy]-2-(18F)fluoropyridine
CID 46182395
N-(2-hydroxyethyl)-3-[[1-[3-(trifluoromethyl)benzoyl]pyrrolidin-2-yl]methoxy]pyridine-2-carboxamide
CID 67773123
3-[[(2R)-1-(cyclohexanecarbonyl)pyrrolidin-2-yl]methoxy]-N-pyridin-2-ylpyridine-2-carboxamide
CID 70796022
tert-butyl (2S)-2-(1H-imidazo[4,5-b]pyridin-2-yloxymethyl)pyrrolidine-1-carboxylate
CID 97172907
tert-butyl (2S)-2-[(3-ethoxyquinoxalin-2-yl)oxymethyl]pyrrolidine-1-carboxylate
CID 97177764

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-3-pyridinyl) (2S)-2-[(2-fluoro-3-pyridinyl)oxymethyl]pyrrolidine-1-carboxylate?
The IUPAC name of (2-fluoro-3-pyridinyl) (2S)-2-[(2-fluoro-3-pyridinyl)oxymethyl]pyrrolidine-1-carboxylate (CID 174187814) is (2-fluoro-3-pyridinyl) (2S)-2-[(2-fluoro-3-pyridinyl)oxymethyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for (2-fluoro-3-pyridinyl) (2S)-2-[(2-fluoro-3-pyridinyl)oxymethyl]pyrrolidine-1-carboxylate?
The canonical SMILES for (2-fluoro-3-pyridinyl) (2S)-2-[(2-fluoro-3-pyridinyl)oxymethyl]pyrrolidine-1-carboxylate is O=C(Oc1cccnc1F)N1CCC[C@H]1COc1cccnc1F.
What is the InChIKey of (2-fluoro-3-pyridinyl) (2S)-2-[(2-fluoro-3-pyridinyl)oxymethyl]pyrrolidine-1-carboxylate?
The InChIKey is WVFCKVRSPLNGBH-NSHDSACASA-N. The full InChI is InChI=1S/C16H15F2N3O3/c17-14-12(5-1-7-19-14)23-10-11-4-3-9-21(11)16(22)24-13-6-2-8-20-15(13)18/h1-2,5-8,11H,3-4,9-10H2/t11-/m0/s1.
What are the key properties of (2-fluoro-3-pyridinyl) (2S)-2-[(2-fluoro-3-pyridinyl)oxymethyl]pyrrolidine-1-carboxylate?
(2-fluoro-3-pyridinyl) (2S)-2-[(2-fluoro-3-pyridinyl)oxymethyl]pyrrolidine-1-carboxylate has a molecular weight of 335.31 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-3-pyridinyl) (2S)-2-[(2-fluoro-3-pyridinyl)oxymethyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 174187814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).