2-fluoro-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridin-3-amine

C11H16FN3O — CID 54448994

IUPAC2-fluoro-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridin-3-amine
SMILESCN1CCC[C@H]1COc1cnc(F)c(N)c1
InChIInChI=1S/C11H16FN3O/c1-15-4-2-3-8(15)7-16-9-5-10(13)11(12)14-6-9/h5-6,8H,2-4,7,13H2,1H3/t8-/m0/s1
InChIKeyWTPDQYDGBHCZGE-QMMMGPOBSA-N
MW225.27 g/mol
LogP1.28
Rot. Bonds3

About 2-fluoro-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridin-3-amine

2-fluoro-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridin-3-amine (PubChem CID 54448994) has the molecular formula C11H16FN3O and a molecular weight of 225.27 g/mol. Its IUPAC name is 2-fluoro-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridin-3-amine.

Molecular Properties

Compound Name2-fluoro-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridin-3-amine
PubChem CID54448994
Molecular FormulaC11H16FN3O
Molecular Weight225.27 g/mol
Exact Mass225.13
IUPAC Name2-fluoro-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridin-3-amine
SMILESCN1CCC[C@H]1COc1cnc(F)c(N)c1
InChIInChI=1S/C11H16FN3O/c1-15-4-2-3-8(15)7-16-9-5-10(13)11(12)14-6-9/h5-6,8H,2-4,7,13H2,1H3/t8-/m0/s1
InChIKeyWTPDQYDGBHCZGE-QMMMGPOBSA-N
XLogP1.28
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 51.28
H-Bond Donors ≤ 51
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-3-methoxy-5-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]pyridine
CID 54017583
3-ethyl-2-fluoro-5-[[(2S)-1-methylazetidin-2-yl]methoxy]pyridine
CID 54543306
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-[(1-methylpiperidin-2-yl)methoxy]pyrimidin-5-amine
CID 65472450
5-[[(2S)-azetidin-2-yl]methoxy]-2-fluoropyridin-3-amine
CID 45116350
2-chloro-N-ethyl-5-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]pyridin-3-amine
CID 54566968
3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5-propylpyridine;dihydrochloride
CID 67585227

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridin-3-amine?
The IUPAC name of 2-fluoro-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridin-3-amine (CID 54448994) is 2-fluoro-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridin-3-amine.
What is the SMILES notation for 2-fluoro-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridin-3-amine?
The canonical SMILES for 2-fluoro-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridin-3-amine is CN1CCC[C@H]1COc1cnc(F)c(N)c1.
What is the InChIKey of 2-fluoro-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridin-3-amine?
The InChIKey is WTPDQYDGBHCZGE-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H16FN3O/c1-15-4-2-3-8(15)7-16-9-5-10(13)11(12)14-6-9/h5-6,8H,2-4,7,13H2,1H3/t8-/m0/s1.
What are the key properties of 2-fluoro-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridin-3-amine?
2-fluoro-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridin-3-amine has a molecular weight of 225.27 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridin-3-amine is sourced from PubChem (CID 54448994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).