ethyl 3-bromofuro[2,3-b]pyridine-5-carboxylate

C10H8BrNO3 — CID 68663627

IUPACethyl 3-bromofuro[2,3-b]pyridine-5-carboxylate
SMILESCCOC(=O)c1cnc2occ(Br)c2c1
InChIInChI=1S/C10H8BrNO3/c1-2-14-10(13)6-3-7-8(11)5-15-9(7)12-4-6/h3-5H,2H2,1H3
InChIKeyWCPZGDIWBLVLFJ-UHFFFAOYSA-N
MW270.08 g/mol
LogP2.77
Rot. Bonds2

About ethyl 3-bromofuro[2,3-b]pyridine-5-carboxylate

ethyl 3-bromofuro[2,3-b]pyridine-5-carboxylate (PubChem CID 68663627) has the molecular formula C10H8BrNO3 and a molecular weight of 270.08 g/mol. Its IUPAC name is ethyl 3-bromofuro[2,3-b]pyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 3-bromofuro[2,3-b]pyridine-5-carboxylate
PubChem CID68663627
Molecular FormulaC10H8BrNO3
Molecular Weight270.08 g/mol
Exact Mass268.97
IUPAC Nameethyl 3-bromofuro[2,3-b]pyridine-5-carboxylate
SMILESCCOC(=O)c1cnc2occ(Br)c2c1
InChIInChI=1S/C10H8BrNO3/c1-2-14-10(13)6-3-7-8(11)5-15-9(7)12-4-6/h3-5H,2H2,1H3
InChIKeyWCPZGDIWBLVLFJ-UHFFFAOYSA-N
XLogP2.77
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.08
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2,3-dimethylthieno[2,3-b]pyridine-5-carboxylate
CID 140979555
ethyl 5-bromo-6-propan-2-yloxypyridine-3-carboxylate
CID 133062104
ethyl 6-amino-5-iodopyridine-3-carboxylate
CID 67057368
ethyl 5-hydroxy-6-methylpyridine-3-carboxylate
CID 15619972
ethyl 5-hydroxyquinoline-3-carboxylate
CID 135618214
ethyl 2-(chloromethyl)furo[2,3-b]pyridine-5-carboxylate
CID 10561989
ethyl 5-bromo-6-(dimethylaminomethylideneamino)pyridine-3-carboxylate
CID 131749966
ethyl 2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine-7-carboxylate
CID 131337609
ethyl 5,6,7-trimethyl-8-phosphanylquinoline-3-carboxylate
CID 129276355
ethyl 3-bromo-9-oxo-4H-furo[3,2-b]quinoline-7-carboxylate
CID 135017692
ethyl 5-(aminomethyl)-6-methylpyridine-3-carboxylate
CID 118366162
(5-chlorothiophen-2-yl)methyl 3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylate
CID 47398743

Frequently Asked Questions

What is the IUPAC name of ethyl 3-bromofuro[2,3-b]pyridine-5-carboxylate?
The IUPAC name of ethyl 3-bromofuro[2,3-b]pyridine-5-carboxylate (CID 68663627) is ethyl 3-bromofuro[2,3-b]pyridine-5-carboxylate.
What is the SMILES notation for ethyl 3-bromofuro[2,3-b]pyridine-5-carboxylate?
The canonical SMILES for ethyl 3-bromofuro[2,3-b]pyridine-5-carboxylate is CCOC(=O)c1cnc2occ(Br)c2c1.
What is the InChIKey of ethyl 3-bromofuro[2,3-b]pyridine-5-carboxylate?
The InChIKey is WCPZGDIWBLVLFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrNO3/c1-2-14-10(13)6-3-7-8(11)5-15-9(7)12-4-6/h3-5H,2H2,1H3.
What are the key properties of ethyl 3-bromofuro[2,3-b]pyridine-5-carboxylate?
ethyl 3-bromofuro[2,3-b]pyridine-5-carboxylate has a molecular weight of 270.08 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-bromofuro[2,3-b]pyridine-5-carboxylate is sourced from PubChem (CID 68663627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).