2-bromo-4-methylthieno[3,2-c]pyridine

C8H6BrNS — CID 59117113

IUPAC2-bromo-4-methylthieno[3,2-c]pyridine
SMILESCc1nccc2sc(Br)cc12
InChIInChI=1S/C8H6BrNS/c1-5-6-4-8(9)11-7(6)2-3-10-5/h2-4H,1H3
InChIKeyRLNHTGIBYJHORH-UHFFFAOYSA-N
MW228.11 g/mol
LogP3.37
Rot. Bonds

About 2-bromo-4-methylthieno[3,2-c]pyridine

2-bromo-4-methylthieno[3,2-c]pyridine (PubChem CID 59117113) has the molecular formula C8H6BrNS and a molecular weight of 228.11 g/mol. Its IUPAC name is 2-bromo-4-methylthieno[3,2-c]pyridine.

Molecular Properties

Compound Name2-bromo-4-methylthieno[3,2-c]pyridine
PubChem CID59117113
Molecular FormulaC8H6BrNS
Molecular Weight228.11 g/mol
Exact Mass226.94
IUPAC Name2-bromo-4-methylthieno[3,2-c]pyridine
SMILESCc1nccc2sc(Br)cc12
InChIInChI=1S/C8H6BrNS/c1-5-6-4-8(9)11-7(6)2-3-10-5/h2-4H,1H3
InChIKeyRLNHTGIBYJHORH-UHFFFAOYSA-N
XLogP3.37
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.11
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-bromo-1-methylisoquinoline
CID 74889121
2-bromo-4-chlorothieno[2,3-b]pyridine
CID 54328394
2-bromothieno[3,2-b]pyridine
CID 13220432
1,6,7-trimethylisoquinoline
CID 138751801
2,4-bis(4-tert-butylphenyl)thieno[3,2-c]pyridine
CID 121382363
2-bromo-5H-thieno[3,2-c]pyridin-4-one
CID 12875893
2,4-dibromo-6-methylsulfanyl-1-benzothiophene
CID 131191577
2-bromo-4-fluoro-5-iodo-1-benzothiophene
CID 130805978
7-bromo-6-methoxy-1-methylisoquinoline
CID 84707562
3-bromo-2-methyl-4-methylsulfanylpyridine
CID 170993138
4-bromo-8-methyl-1,7-naphthyridine
CID 103416470
1,7-dimethylisoquinoline
CID 59050335

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-methylthieno[3,2-c]pyridine?
The IUPAC name of 2-bromo-4-methylthieno[3,2-c]pyridine (CID 59117113) is 2-bromo-4-methylthieno[3,2-c]pyridine.
What is the SMILES notation for 2-bromo-4-methylthieno[3,2-c]pyridine?
The canonical SMILES for 2-bromo-4-methylthieno[3,2-c]pyridine is Cc1nccc2sc(Br)cc12.
What is the InChIKey of 2-bromo-4-methylthieno[3,2-c]pyridine?
The InChIKey is RLNHTGIBYJHORH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrNS/c1-5-6-4-8(9)11-7(6)2-3-10-5/h2-4H,1H3.
What are the key properties of 2-bromo-4-methylthieno[3,2-c]pyridine?
2-bromo-4-methylthieno[3,2-c]pyridine has a molecular weight of 228.11 g/mol, XLogP of 3.37, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-methylthieno[3,2-c]pyridine is sourced from PubChem (CID 59117113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).