2-fluoro-3-[[(2S)-4-(methoxymethyl)pyrrolidin-2-yl]methoxy]-4-methylpyridine

C13H19FN2O2 — CID 146510575

IUPAC2-fluoro-3-[[(2S)-4-(methoxymethyl)pyrrolidin-2-yl]methoxy]-4-methylpyridine
SMILESCOCC1CN[C@H](COc2c(C)ccnc2F)C1
InChIInChI=1S/C13H19FN2O2/c1-9-3-4-15-13(14)12(9)18-8-11-5-10(6-16-11)7-17-2/h3-4,10-11,16H,5-8H2,1-2H3/t10?,11-/m0/s1
InChIKeyBKZDYEFCHWMFOZ-DTIOYNMSSA-N
MW254.30 g/mol
LogP1.53
Rot. Bonds5

About 2-fluoro-3-[[(2S)-4-(methoxymethyl)pyrrolidin-2-yl]methoxy]-4-methylpyridine

2-fluoro-3-[[(2S)-4-(methoxymethyl)pyrrolidin-2-yl]methoxy]-4-methylpyridine (PubChem CID 146510575) has the molecular formula C13H19FN2O2 and a molecular weight of 254.30 g/mol. Its IUPAC name is 2-fluoro-3-[[(2S)-4-(methoxymethyl)pyrrolidin-2-yl]methoxy]-4-methylpyridine.

Molecular Properties

Compound Name2-fluoro-3-[[(2S)-4-(methoxymethyl)pyrrolidin-2-yl]methoxy]-4-methylpyridine
PubChem CID146510575
Molecular FormulaC13H19FN2O2
Molecular Weight254.30 g/mol
Exact Mass254.14
IUPAC Name2-fluoro-3-[[(2S)-4-(methoxymethyl)pyrrolidin-2-yl]methoxy]-4-methylpyridine
SMILESCOCC1CN[C@H](COc2c(C)ccnc2F)C1
InChIInChI=1S/C13H19FN2O2/c1-9-3-4-15-13(14)12(9)18-8-11-5-10(6-16-11)7-17-2/h3-4,10-11,16H,5-8H2,1-2H3/t10?,11-/m0/s1
InChIKeyBKZDYEFCHWMFOZ-DTIOYNMSSA-N
XLogP1.53
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-fluoro-3-[[(2S)-4-(methoxymethyl)pyrrolidin-2-yl]methoxy]-4-methylpyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-[[(2S)-4-(methoxymethyl)pyrrolidin-2-yl]methoxy]-4-methylpyridine?
The IUPAC name of 2-fluoro-3-[[(2S)-4-(methoxymethyl)pyrrolidin-2-yl]methoxy]-4-methylpyridine (CID 146510575) is 2-fluoro-3-[[(2S)-4-(methoxymethyl)pyrrolidin-2-yl]methoxy]-4-methylpyridine.
What is the SMILES notation for 2-fluoro-3-[[(2S)-4-(methoxymethyl)pyrrolidin-2-yl]methoxy]-4-methylpyridine?
The canonical SMILES for 2-fluoro-3-[[(2S)-4-(methoxymethyl)pyrrolidin-2-yl]methoxy]-4-methylpyridine is COCC1CN[C@H](COc2c(C)ccnc2F)C1.
What is the InChIKey of 2-fluoro-3-[[(2S)-4-(methoxymethyl)pyrrolidin-2-yl]methoxy]-4-methylpyridine?
The InChIKey is BKZDYEFCHWMFOZ-DTIOYNMSSA-N. The full InChI is InChI=1S/C13H19FN2O2/c1-9-3-4-15-13(14)12(9)18-8-11-5-10(6-16-11)7-17-2/h3-4,10-11,16H,5-8H2,1-2H3/t10?,11-/m0/s1.
What are the key properties of 2-fluoro-3-[[(2S)-4-(methoxymethyl)pyrrolidin-2-yl]methoxy]-4-methylpyridine?
2-fluoro-3-[[(2S)-4-(methoxymethyl)pyrrolidin-2-yl]methoxy]-4-methylpyridine has a molecular weight of 254.30 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-[[(2S)-4-(methoxymethyl)pyrrolidin-2-yl]methoxy]-4-methylpyridine is sourced from PubChem (CID 146510575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).