3-bromo-2-methylthieno[2,3-b]pyridine

C8H6BrNS — CID 68857726

IUPAC3-bromo-2-methylthieno[2,3-b]pyridine
SMILESCc1sc2ncccc2c1Br
InChIInChI=1S/C8H6BrNS/c1-5-7(9)6-3-2-4-10-8(6)11-5/h2-4H,1H3
InChIKeyVIPRDICSJRCMOI-UHFFFAOYSA-N
MW228.11 g/mol
LogP3.37
Rot. Bonds

About 3-bromo-2-methylthieno[2,3-b]pyridine

3-bromo-2-methylthieno[2,3-b]pyridine (PubChem CID 68857726) has the molecular formula C8H6BrNS and a molecular weight of 228.11 g/mol. Its IUPAC name is 3-bromo-2-methylthieno[2,3-b]pyridine.

Molecular Properties

Compound Name3-bromo-2-methylthieno[2,3-b]pyridine
PubChem CID68857726
Molecular FormulaC8H6BrNS
Molecular Weight228.11 g/mol
Exact Mass226.94
IUPAC Name3-bromo-2-methylthieno[2,3-b]pyridine
SMILESCc1sc2ncccc2c1Br
InChIInChI=1S/C8H6BrNS/c1-5-7(9)6-3-2-4-10-8(6)11-5/h2-4H,1H3
InChIKeyVIPRDICSJRCMOI-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

Thieno(2,3-b)pyridine
CID 289928
Thieno(3,2-c)pyridine
CID 67500
4-(4-(3-Bromo-2-thienyl)-1,3-thiazol-2-yl)pyridine
CID 1488438
n-Methyl-1-(thieno[2,3-b]pyridin-2-yl)methanamine
CID 7537465
Thieno[3,2-c]pyridin-2-ylmethanamine
CID 67306704
3-Bromothieno[2,3-b]pyridine
CID 289926
Thieno[2,3-b]pyridine-2-carboximidamide
CID 5439
3-(2-Bromothiophen-3-yl)pyridine
CID 9991855
2,3-Dibromothieno[2,3-c]pyridine
CID 626220
4-[4-(4-Bromophenyl)-1,3-thiazol-2-yl]pyridine
CID 738484
N,N-Dimethylthieno[3,2-c]pyridine-2-methanamine
CID 118722716
3-Bromo-5-thiophen-3-yl-pyridine
CID 11276492

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-methylthieno[2,3-b]pyridine?
The IUPAC name of 3-bromo-2-methylthieno[2,3-b]pyridine (CID 68857726) is 3-bromo-2-methylthieno[2,3-b]pyridine.
What is the SMILES notation for 3-bromo-2-methylthieno[2,3-b]pyridine?
The canonical SMILES for 3-bromo-2-methylthieno[2,3-b]pyridine is Cc1sc2ncccc2c1Br.
What is the InChIKey of 3-bromo-2-methylthieno[2,3-b]pyridine?
The InChIKey is VIPRDICSJRCMOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrNS/c1-5-7(9)6-3-2-4-10-8(6)11-5/h2-4H,1H3.
What are the key properties of 3-bromo-2-methylthieno[2,3-b]pyridine?
3-bromo-2-methylthieno[2,3-b]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 3-bromo-2-methylthieno[2,3-b]pyridine is sourced from PubChem (CID 68857726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).