[(3S)-2,3-dihydrofuro[2,3-b]pyridin-3-yl] hydrogen carbonate

C8H7NO4 — CID 118588745

IUPAC[(3S)-2,3-dihydrofuro[2,3-b]pyridin-3-yl] hydrogen carbonate
SMILESO=C(O)O[C@@H]1COc2ncccc21
InChIInChI=1S/C8H7NO4/c10-8(11)13-6-4-12-7-5(6)2-1-3-9-7/h1-3,6H,4H2,(H,10,11)/t6-/m1/s1
InChIKeyWRJTYOWVCJZFPK-ZCFIWIBFSA-N
MW181.15 g/mol
LogP1.21
Rot. Bonds1

About [(3S)-2,3-dihydrofuro[2,3-b]pyridin-3-yl] hydrogen carbonate

[(3S)-2,3-dihydrofuro[2,3-b]pyridin-3-yl] hydrogen carbonate (PubChem CID 118588745) has the molecular formula C8H7NO4 and a molecular weight of 181.15 g/mol. Its IUPAC name is [(3S)-2,3-dihydrofuro[2,3-b]pyridin-3-yl] hydrogen carbonate.

Molecular Properties

Compound Name[(3S)-2,3-dihydrofuro[2,3-b]pyridin-3-yl] hydrogen carbonate
PubChem CID118588745
Molecular FormulaC8H7NO4
Molecular Weight181.15 g/mol
Exact Mass181.04
IUPAC Name[(3S)-2,3-dihydrofuro[2,3-b]pyridin-3-yl] hydrogen carbonate
SMILESO=C(O)O[C@@H]1COc2ncccc21
InChIInChI=1S/C8H7NO4/c10-8(11)13-6-4-12-7-5(6)2-1-3-9-7/h1-3,6H,4H2,(H,10,11)/t6-/m1/s1
InChIKeyWRJTYOWVCJZFPK-ZCFIWIBFSA-N
XLogP1.21
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.15
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(3S)-2,3-dihydrofuro[2,3-b]pyridin-3-yl] hydrogen carbonate?
The IUPAC name of [(3S)-2,3-dihydrofuro[2,3-b]pyridin-3-yl] hydrogen carbonate (CID 118588745) is [(3S)-2,3-dihydrofuro[2,3-b]pyridin-3-yl] hydrogen carbonate.
What is the SMILES notation for [(3S)-2,3-dihydrofuro[2,3-b]pyridin-3-yl] hydrogen carbonate?
The canonical SMILES for [(3S)-2,3-dihydrofuro[2,3-b]pyridin-3-yl] hydrogen carbonate is O=C(O)O[C@@H]1COc2ncccc21.
What is the InChIKey of [(3S)-2,3-dihydrofuro[2,3-b]pyridin-3-yl] hydrogen carbonate?
The InChIKey is WRJTYOWVCJZFPK-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H7NO4/c10-8(11)13-6-4-12-7-5(6)2-1-3-9-7/h1-3,6H,4H2,(H,10,11)/t6-/m1/s1.
What are the key properties of [(3S)-2,3-dihydrofuro[2,3-b]pyridin-3-yl] hydrogen carbonate?
[(3S)-2,3-dihydrofuro[2,3-b]pyridin-3-yl] hydrogen carbonate has a molecular weight of 181.15 g/mol, XLogP of 1.21, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-2,3-dihydrofuro[2,3-b]pyridin-3-yl] hydrogen carbonate is sourced from PubChem (CID 118588745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).