methyl 2-bromothieno[3,2-b]pyridine-6-carboxylate

C9H6BrNO2S — CID 117275214

IUPACmethyl 2-bromothieno[3,2-b]pyridine-6-carboxylate
SMILESCOC(=O)c1cnc2cc(Br)sc2c1
InChIInChI=1S/C9H6BrNO2S/c1-13-9(12)5-2-7-6(11-4-5)3-8(10)14-7/h2-4H,1H3
InChIKeyHYSRZXXRJUABFN-UHFFFAOYSA-N
MW272.12 g/mol
LogP2.85
Rot. Bonds1

About methyl 2-bromothieno[3,2-b]pyridine-6-carboxylate

methyl 2-bromothieno[3,2-b]pyridine-6-carboxylate (PubChem CID 117275214) has the molecular formula C9H6BrNO2S and a molecular weight of 272.12 g/mol. Its IUPAC name is methyl 2-bromothieno[3,2-b]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-bromothieno[3,2-b]pyridine-6-carboxylate
PubChem CID117275214
Molecular FormulaC9H6BrNO2S
Molecular Weight272.12 g/mol
Exact Mass270.93
IUPAC Namemethyl 2-bromothieno[3,2-b]pyridine-6-carboxylate
SMILESCOC(=O)c1cnc2cc(Br)sc2c1
InChIInChI=1S/C9H6BrNO2S/c1-13-9(12)5-2-7-6(11-4-5)3-8(10)14-7/h2-4H,1H3
InChIKeyHYSRZXXRJUABFN-UHFFFAOYSA-N
XLogP2.85
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.12
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-chloro-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate
CID 76849981
methyl [1,3]thiazolo[5,4-b]pyridine-6-carboxylate
CID 68985089
methyl 5-bromo-6-(hydroxymethyl)pyridine-3-carboxylate
CID 134206230
methyl 5-bromo-6-hydrazinylpyridine-3-carboxylate
CID 58208024
3-methoxy-5-methoxycarbonylpyridine-2-carboxylic acid
CID 22923874
methyl 2-methyl-1H-pyrrolo[3,2-b]pyridine-6-carboxylate
CID 53412446
methyl 2-methylfuro[3,2-b]pyridine-6-carboxylate
CID 135314614
methyl 3-bromoquinoline-7-carboxylate
CID 117100290
methyl 6-sulfanylquinoline-3-carboxylate
CID 134532830
methyl 5-methyl-6-methylsulfanylpyridine-3-carboxylate
CID 102544528
dimethyl pyridine-3,5-dicarboxylate;hydrochloride
CID 67354449
methyl 4-[1-(5-bromo-1,3-thiazol-2-yl)ethenyl]benzoate
CID 58456378

Frequently Asked Questions

What is the IUPAC name of methyl 2-bromothieno[3,2-b]pyridine-6-carboxylate?
The IUPAC name of methyl 2-bromothieno[3,2-b]pyridine-6-carboxylate (CID 117275214) is methyl 2-bromothieno[3,2-b]pyridine-6-carboxylate.
What is the SMILES notation for methyl 2-bromothieno[3,2-b]pyridine-6-carboxylate?
The canonical SMILES for methyl 2-bromothieno[3,2-b]pyridine-6-carboxylate is COC(=O)c1cnc2cc(Br)sc2c1.
What is the InChIKey of methyl 2-bromothieno[3,2-b]pyridine-6-carboxylate?
The InChIKey is HYSRZXXRJUABFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrNO2S/c1-13-9(12)5-2-7-6(11-4-5)3-8(10)14-7/h2-4H,1H3.
What are the key properties of methyl 2-bromothieno[3,2-b]pyridine-6-carboxylate?
methyl 2-bromothieno[3,2-b]pyridine-6-carboxylate has a molecular weight of 272.12 g/mol, XLogP of 2.85, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-bromothieno[3,2-b]pyridine-6-carboxylate is sourced from PubChem (CID 117275214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).