propan-2-yl 3-hydroxyfuro[2,3-b]pyridine-2-carboxylate

C11H11NO4 — CID 175984372

IUPACpropan-2-yl 3-hydroxyfuro[2,3-b]pyridine-2-carboxylate
SMILESCC(C)OC(=O)c1oc2ncccc2c1O
InChIInChI=1S/C11H11NO4/c1-6(2)15-11(14)9-8(13)7-4-3-5-12-10(7)16-9/h3-6,13H,1-2H3
InChIKeyCTZMFGHFLGGTKK-UHFFFAOYSA-N
MW221.21 g/mol
LogP2.10
Rot. Bonds2

About propan-2-yl 3-hydroxyfuro[2,3-b]pyridine-2-carboxylate

propan-2-yl 3-hydroxyfuro[2,3-b]pyridine-2-carboxylate (PubChem CID 175984372) has the molecular formula C11H11NO4 and a molecular weight of 221.21 g/mol. Its IUPAC name is propan-2-yl 3-hydroxyfuro[2,3-b]pyridine-2-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 3-hydroxyfuro[2,3-b]pyridine-2-carboxylate
PubChem CID175984372
Molecular FormulaC11H11NO4
Molecular Weight221.21 g/mol
Exact Mass221.07
IUPAC Namepropan-2-yl 3-hydroxyfuro[2,3-b]pyridine-2-carboxylate
SMILESCC(C)OC(=O)c1oc2ncccc2c1O
InChIInChI=1S/C11H11NO4/c1-6(2)15-11(14)9-8(13)7-4-3-5-12-10(7)16-9/h3-6,13H,1-2H3
InChIKeyCTZMFGHFLGGTKK-UHFFFAOYSA-N
XLogP2.10
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.21
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-hydroxyfuro[2,3-b]pyridine-2-carboxylate;hydrochloride
CID 118704537
dipropan-2-yl pyridine-2,3-dicarboxylate
CID 14745930
propan-2-yl 5-methoxyquinoline-8-carboxylate
CID 67977903
propan-2-yl 5-hydroxyisoquinoline-1-carboxylate
CID 19897464
3-amino-N-(4-methoxyphenyl)furo[2,3-b]pyridine-2-carboxamide
CID 155808175
propan-2-yl 2-propan-2-yloxypyridine-3-carboxylate
CID 121229095
2-propan-2-yloxycarbonylpyridine-3-carboxylic acid
CID 20750066
propan-2-yl isoquinoline-1-carboxylate
CID 57319572
propan-2-yl 3-(chloromethyl)pyridine-2-carboxylate
CID 133062818
propan-2-yl 2-(difluoromethylsulfanyl)pyridine-3-carboxylate
CID 55475285
propan-2-yl 3-diethoxyphosphoryloxythieno[2,3-b]pyridine-2-carboxylate
CID 54223216
propan-2-yl 4-phenyldiazenylbenzoate
CID 89049072

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3-hydroxyfuro[2,3-b]pyridine-2-carboxylate?
The IUPAC name of propan-2-yl 3-hydroxyfuro[2,3-b]pyridine-2-carboxylate (CID 175984372) is propan-2-yl 3-hydroxyfuro[2,3-b]pyridine-2-carboxylate.
What is the SMILES notation for propan-2-yl 3-hydroxyfuro[2,3-b]pyridine-2-carboxylate?
The canonical SMILES for propan-2-yl 3-hydroxyfuro[2,3-b]pyridine-2-carboxylate is CC(C)OC(=O)c1oc2ncccc2c1O.
What is the InChIKey of propan-2-yl 3-hydroxyfuro[2,3-b]pyridine-2-carboxylate?
The InChIKey is CTZMFGHFLGGTKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO4/c1-6(2)15-11(14)9-8(13)7-4-3-5-12-10(7)16-9/h3-6,13H,1-2H3.
What are the key properties of propan-2-yl 3-hydroxyfuro[2,3-b]pyridine-2-carboxylate?
propan-2-yl 3-hydroxyfuro[2,3-b]pyridine-2-carboxylate has a molecular weight of 221.21 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 3-hydroxyfuro[2,3-b]pyridine-2-carboxylate is sourced from PubChem (CID 175984372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).