methyl 3-bromofuro[3,2-b]pyridine-7-carboxylate

C9H6BrNO3 — CID 131602198

IUPACmethyl 3-bromofuro[3,2-b]pyridine-7-carboxylate
SMILESCOC(=O)c1ccnc2c(Br)coc12
InChIInChI=1S/C9H6BrNO3/c1-13-9(12)5-2-3-11-7-6(10)4-14-8(5)7/h2-4H,1H3
InChIKeyBPRFAGMFCDWGQK-UHFFFAOYSA-N
MW256.05 g/mol
LogP2.38
Rot. Bonds1

About methyl 3-bromofuro[3,2-b]pyridine-7-carboxylate

methyl 3-bromofuro[3,2-b]pyridine-7-carboxylate (PubChem CID 131602198) has the molecular formula C9H6BrNO3 and a molecular weight of 256.05 g/mol. Its IUPAC name is methyl 3-bromofuro[3,2-b]pyridine-7-carboxylate.

Molecular Properties

Compound Namemethyl 3-bromofuro[3,2-b]pyridine-7-carboxylate
PubChem CID131602198
Molecular FormulaC9H6BrNO3
Molecular Weight256.05 g/mol
Exact Mass254.95
IUPAC Namemethyl 3-bromofuro[3,2-b]pyridine-7-carboxylate
SMILESCOC(=O)c1ccnc2c(Br)coc12
InChIInChI=1S/C9H6BrNO3/c1-13-9(12)5-2-3-11-7-6(10)4-14-8(5)7/h2-4H,1H3
InChIKeyBPRFAGMFCDWGQK-UHFFFAOYSA-N
XLogP2.38
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.05
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 3-bromofuro[3,2-b]pyridine-7-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

methyl 3-bromo-2-methoxypyridine-4-carboxylate
CID 46311220
methyl 3-bromo-2-cyanopyridine-4-carboxylate
CID 131187881
methyl 2-bromo-3-(1,3-oxazol-2-yl)pyridine-4-carboxylate
CID 175706536
methyl 2-chlorofuro[3,2-b]pyridine-7-carboxylate
CID 178038672
methyl 3-iodo-2H-pyrazolo[4,3-b]pyridine-7-carboxylate
CID 162342553
methyl 2-formylfuro[3,2-b]pyridine-7-carboxylate
CID 178038959
methyl 3-methylthieno[3,2-b]pyridine-7-carboxylate
CID 130905624
methyl 5,6,8-trichloroquinoline-4-carboxylate
CID 102941704
methyl 8-ethylquinoline-4-carboxylate
CID 102941710
methyl 1,10-phenanthroline-4-carboxylate
CID 20679670
methyl 3-bromo-2H-pyrazolo[3,4-b]pyridine-4-carboxylate
CID 131552131
methyl 2-cyano-3-methylpyridine-4-carboxylate
CID 59565228

Frequently Asked Questions

What is the IUPAC name of methyl 3-bromofuro[3,2-b]pyridine-7-carboxylate?
The IUPAC name of methyl 3-bromofuro[3,2-b]pyridine-7-carboxylate (CID 131602198) is methyl 3-bromofuro[3,2-b]pyridine-7-carboxylate.
What is the SMILES notation for methyl 3-bromofuro[3,2-b]pyridine-7-carboxylate?
The canonical SMILES for methyl 3-bromofuro[3,2-b]pyridine-7-carboxylate is COC(=O)c1ccnc2c(Br)coc12.
What is the InChIKey of methyl 3-bromofuro[3,2-b]pyridine-7-carboxylate?
The InChIKey is BPRFAGMFCDWGQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrNO3/c1-13-9(12)5-2-3-11-7-6(10)4-14-8(5)7/h2-4H,1H3.
What are the key properties of methyl 3-bromofuro[3,2-b]pyridine-7-carboxylate?
methyl 3-bromofuro[3,2-b]pyridine-7-carboxylate has a molecular weight of 256.05 g/mol, XLogP of 2.38, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-bromofuro[3,2-b]pyridine-7-carboxylate is sourced from PubChem (CID 131602198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).