2-(3,4-dimethoxypyrrolidin-1-yl)-6-fluoropyridine

C11H15FN2O2 — CID 103536645

IUPAC2-(3,4-dimethoxypyrrolidin-1-yl)-6-fluoropyridine
SMILESCOC1CN(c2cccc(F)n2)CC1OC
InChIInChI=1S/C11H15FN2O2/c1-15-8-6-14(7-9(8)16-2)11-5-3-4-10(12)13-11/h3-5,8-9H,6-7H2,1-2H3
InChIKeyHFYHRAXTGKRDOS-UHFFFAOYSA-N
MW226.25 g/mol
LogP1.07
Rot. Bonds3

About 2-(3,4-dimethoxypyrrolidin-1-yl)-6-fluoropyridine

2-(3,4-dimethoxypyrrolidin-1-yl)-6-fluoropyridine (PubChem CID 103536645) has the molecular formula C11H15FN2O2 and a molecular weight of 226.25 g/mol. Its IUPAC name is 2-(3,4-dimethoxypyrrolidin-1-yl)-6-fluoropyridine.

Molecular Properties

Compound Name2-(3,4-dimethoxypyrrolidin-1-yl)-6-fluoropyridine
PubChem CID103536645
Molecular FormulaC11H15FN2O2
Molecular Weight226.25 g/mol
Exact Mass226.11
IUPAC Name2-(3,4-dimethoxypyrrolidin-1-yl)-6-fluoropyridine
SMILESCOC1CN(c2cccc(F)n2)CC1OC
InChIInChI=1S/C11H15FN2O2/c1-15-8-6-14(7-9(8)16-2)11-5-3-4-10(12)13-11/h3-5,8-9H,6-7H2,1-2H3
InChIKeyHFYHRAXTGKRDOS-UHFFFAOYSA-N
XLogP1.07
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 51.07
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

1-(6-fluoro-2-pyridinyl)pyrrolidine-3,4-diol
CID 106670856
[1-(6-fluoro-2-pyridinyl)azetidin-3-yl]methanol
CID 130830616
N-[[6-(3,4-dimethoxypyrrolidin-1-yl)-2-pyridinyl]methyl]cyclopropanamine
CID 103539487
8-chloro-2-[(3R,4S)-3,4-dimethoxypyrrolidin-1-yl]-6-fluoroquinoline
CID 138045462
[4-(6-fluoro-2-pyridinyl)-6-methylmorpholin-2-yl]methanol
CID 102933936
2-(4-ethylpiperidin-1-yl)-6-fluoropyridine
CID 61397764
4-(6-fluoro-2-pyridinyl)-2-methyl-1,4-oxazepane
CID 62967987
2-(6-fluoro-2-pyridinyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline
CID 61227818
4-[(3S,4R)-3,4-dimethoxypyrrolidin-1-yl]-2-propan-2-ylpyrimidine
CID 136581186
[4-(3,4-dimethoxypyrrolidin-1-yl)pyrimidin-2-yl]hydrazine
CID 103542149
1-cyclopropyl-4-(6-fluoro-2-pyridinyl)piperazine
CID 61444197
1-ethyl-4-(6-fluoro-2-pyridinyl)piperazine
CID 61230129

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxypyrrolidin-1-yl)-6-fluoropyridine?
The IUPAC name of 2-(3,4-dimethoxypyrrolidin-1-yl)-6-fluoropyridine (CID 103536645) is 2-(3,4-dimethoxypyrrolidin-1-yl)-6-fluoropyridine.
What is the SMILES notation for 2-(3,4-dimethoxypyrrolidin-1-yl)-6-fluoropyridine?
The canonical SMILES for 2-(3,4-dimethoxypyrrolidin-1-yl)-6-fluoropyridine is COC1CN(c2cccc(F)n2)CC1OC.
What is the InChIKey of 2-(3,4-dimethoxypyrrolidin-1-yl)-6-fluoropyridine?
The InChIKey is HFYHRAXTGKRDOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O2/c1-15-8-6-14(7-9(8)16-2)11-5-3-4-10(12)13-11/h3-5,8-9H,6-7H2,1-2H3.
What are the key properties of 2-(3,4-dimethoxypyrrolidin-1-yl)-6-fluoropyridine?
2-(3,4-dimethoxypyrrolidin-1-yl)-6-fluoropyridine has a molecular weight of 226.25 g/mol, XLogP of 1.07, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxypyrrolidin-1-yl)-6-fluoropyridine is sourced from PubChem (CID 103536645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).