2-fluoro-3-methoxy-5-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]pyridine

C12H17FN2O2 — CID 54017583

IUPAC2-fluoro-3-methoxy-5-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]pyridine
SMILESCOc1cc(OC[C@H]2CCCN2C)cnc1F
InChIInChI=1S/C12H17FN2O2/c1-15-5-3-4-9(15)8-17-10-6-11(16-2)12(13)14-7-10/h6-7,9H,3-5,8H2,1-2H3/t9-/m1/s1
InChIKeyKWQQNXHSCNVFOI-SECBINFHSA-N
MW240.28 g/mol
LogP1.70
Rot. Bonds4

About 2-fluoro-3-methoxy-5-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]pyridine

2-fluoro-3-methoxy-5-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]pyridine (PubChem CID 54017583) has the molecular formula C12H17FN2O2 and a molecular weight of 240.28 g/mol. Its IUPAC name is 2-fluoro-3-methoxy-5-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]pyridine.

Molecular Properties

Compound Name2-fluoro-3-methoxy-5-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]pyridine
PubChem CID54017583
Molecular FormulaC12H17FN2O2
Molecular Weight240.28 g/mol
Exact Mass240.13
IUPAC Name2-fluoro-3-methoxy-5-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]pyridine
SMILESCOc1cc(OC[C@H]2CCCN2C)cnc1F
InChIInChI=1S/C12H17FN2O2/c1-15-5-3-4-9(15)8-17-10-6-11(16-2)12(13)14-7-10/h6-7,9H,3-5,8H2,1-2H3/t9-/m1/s1
InChIKeyKWQQNXHSCNVFOI-SECBINFHSA-N
XLogP1.70
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 51.70
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

2-fluoro-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridin-3-amine
CID 54448994
3-ethyl-2-fluoro-5-[[(2S)-1-methylazetidin-2-yl]methoxy]pyridine
CID 54543306
(2S)-2-[(4-methoxy-3-methylphenoxy)methyl]-1-methylpyrrolidine
CID 143189445
2-chloro-3-ethyl-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine
CID 54367867
5-[(1-methylpyrrolidin-2-yl)methoxy]pyridin-3-ol
CID 122208649
2-methyl-5-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]pyridine
CID 54335638
(2R)-2-[(3-fluorophenoxy)methyl]-1-methylpyrrolidine
CID 22857692
2-chloro-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine
CID 10263121
2-chloro-3-ethenyl-5-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]pyridine
CID 54100857
2-chloro-N-ethyl-5-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]pyridin-3-amine
CID 54566968
5-ethoxy-2,3-bis[[(2S)-1-methylazetidin-2-yl]methoxy]pyridine
CID 54236193
4-methoxy-3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]phenol
CID 122185342

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-methoxy-5-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]pyridine?
The IUPAC name of 2-fluoro-3-methoxy-5-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]pyridine (CID 54017583) is 2-fluoro-3-methoxy-5-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]pyridine.
What is the SMILES notation for 2-fluoro-3-methoxy-5-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]pyridine?
The canonical SMILES for 2-fluoro-3-methoxy-5-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]pyridine is COc1cc(OC[C@H]2CCCN2C)cnc1F.
What is the InChIKey of 2-fluoro-3-methoxy-5-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]pyridine?
The InChIKey is KWQQNXHSCNVFOI-SECBINFHSA-N. The full InChI is InChI=1S/C12H17FN2O2/c1-15-5-3-4-9(15)8-17-10-6-11(16-2)12(13)14-7-10/h6-7,9H,3-5,8H2,1-2H3/t9-/m1/s1.
What are the key properties of 2-fluoro-3-methoxy-5-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]pyridine?
2-fluoro-3-methoxy-5-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]pyridine has a molecular weight of 240.28 g/mol, XLogP of 1.70, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-methoxy-5-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]pyridine is sourced from PubChem (CID 54017583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).