oxan-2-ylmethyl 3-fluoropyridine-4-carboxylate

C12H14FNO3 — CID 115645384

IUPACoxan-2-ylmethyl 3-fluoropyridine-4-carboxylate
SMILESO=C(OCC1CCCCO1)c1ccncc1F
InChIInChI=1S/C12H14FNO3/c13-11-7-14-5-4-10(11)12(15)17-8-9-3-1-2-6-16-9/h4-5,7,9H,1-3,6,8H2
InChIKeyXWFUMDACJRSRQD-UHFFFAOYSA-N
MW239.25 g/mol
LogP1.95
Rot. Bonds3

About oxan-2-ylmethyl 3-fluoropyridine-4-carboxylate

oxan-2-ylmethyl 3-fluoropyridine-4-carboxylate (PubChem CID 115645384) has the molecular formula C12H14FNO3 and a molecular weight of 239.25 g/mol. Its IUPAC name is oxan-2-ylmethyl 3-fluoropyridine-4-carboxylate.

Molecular Properties

Compound Nameoxan-2-ylmethyl 3-fluoropyridine-4-carboxylate
PubChem CID115645384
Molecular FormulaC12H14FNO3
Molecular Weight239.25 g/mol
Exact Mass239.10
IUPAC Nameoxan-2-ylmethyl 3-fluoropyridine-4-carboxylate
SMILESO=C(OCC1CCCCO1)c1ccncc1F
InChIInChI=1S/C12H14FNO3/c13-11-7-14-5-4-10(11)12(15)17-8-9-3-1-2-6-16-9/h4-5,7,9H,1-3,6,8H2
InChIKeyXWFUMDACJRSRQD-UHFFFAOYSA-N
XLogP1.95
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.25
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze oxan-2-ylmethyl 3-fluoropyridine-4-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

oxan-2-ylmethyl 2-fluoropyridine-3-carboxylate
CID 107271843
oxolan-2-ylmethyl pyridine-4-carboxylate
CID 533036
oxolan-2-ylmethyl pyridine-3-carboxylate
CID 6260
3-fluoro-N-methyl-N-[2-[(2R)-oxan-2-yl]ethyl]pyridine-4-carboxamide
CID 99972449
oxan-2-ylmethyl 3-amino-4-fluorobenzoate
CID 61279862
oxolan-2-ylmethyl 2-fluoro-5-sulfanylbenzoate
CID 107018460
oxolan-2-ylmethyl 5-amino-2,4-difluorobenzoate
CID 61279294
oxolan-2-ylmethyl 5-acetamido-2-fluorobenzoate
CID 60568275
oxolan-2-ylmethyl 2-ethoxy-3-fluorobenzoate
CID 71988295
[4-[[(2R)-oxolan-2-yl]methoxycarbonyl]phenyl] 2-fluorobenzoate
CID 26256561
[(2R)-oxolan-2-yl]methyl 2-bromobenzoate
CID 2375210
[(2R)-oxolan-2-yl]methyl 2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzoate
CID 97014554

Frequently Asked Questions

What is the IUPAC name of oxan-2-ylmethyl 3-fluoropyridine-4-carboxylate?
The IUPAC name of oxan-2-ylmethyl 3-fluoropyridine-4-carboxylate (CID 115645384) is oxan-2-ylmethyl 3-fluoropyridine-4-carboxylate.
What is the SMILES notation for oxan-2-ylmethyl 3-fluoropyridine-4-carboxylate?
The canonical SMILES for oxan-2-ylmethyl 3-fluoropyridine-4-carboxylate is O=C(OCC1CCCCO1)c1ccncc1F.
What is the InChIKey of oxan-2-ylmethyl 3-fluoropyridine-4-carboxylate?
The InChIKey is XWFUMDACJRSRQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO3/c13-11-7-14-5-4-10(11)12(15)17-8-9-3-1-2-6-16-9/h4-5,7,9H,1-3,6,8H2.
What are the key properties of oxan-2-ylmethyl 3-fluoropyridine-4-carboxylate?
oxan-2-ylmethyl 3-fluoropyridine-4-carboxylate has a molecular weight of 239.25 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-2-ylmethyl 3-fluoropyridine-4-carboxylate is sourced from PubChem (CID 115645384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).