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

C8H6BrNS — CID 170773939

IUPAC4-bromo-3-methylthieno[2,3-c]pyridine
SMILESCc1csc2cncc(Br)c12
InChIInChI=1S/C8H6BrNS/c1-5-4-11-7-3-10-2-6(9)8(5)7/h2-4H,1H3
InChIKeyVHPKJNDPCKAQKW-UHFFFAOYSA-N
MW228.11 g/mol
LogP3.37
Rot. Bonds

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

4-bromo-3-methylthieno[2,3-c]pyridine (PubChem CID 170773939) has the molecular formula C8H6BrNS and a molecular weight of 228.11 g/mol. Its IUPAC name is 4-bromo-3-methylthieno[2,3-c]pyridine.

Molecular Properties

Compound Name4-bromo-3-methylthieno[2,3-c]pyridine
PubChem CID170773939
Molecular FormulaC8H6BrNS
Molecular Weight228.11 g/mol
Exact Mass226.94
IUPAC Name4-bromo-3-methylthieno[2,3-c]pyridine
SMILESCc1csc2cncc(Br)c12
InChIInChI=1S/C8H6BrNS/c1-5-4-11-7-3-10-2-6(9)8(5)7/h2-4H,1H3
InChIKeyVHPKJNDPCKAQKW-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-c)pyridine
CID 9224
3-Bromothieno[2,3-b]pyridine
CID 289926
3-(2-Bromothiophen-3-yl)pyridine
CID 9991855
2,3-Dibromothieno[2,3-c]pyridine
CID 626220
3-Bromo-5-thiophen-3-yl-pyridine
CID 11276492
3-Bromo-5-(3-methylthiophen-2-yl)pyridine
CID 11311338
Thieno(2,3-c)pyridine, hydrochloride
CID 206851
5-Bromothieno(2,3-b)pyridine
CID 12885487
3-Bromothieno[2,3-c]pyridine
CID 612038
3-Bromothieno(3,2-c)pyridine
CID 612039
4-Bromothieno(2,3-c)pyridine
CID 18516346
4-Bromothieno[3,2-c]pyridine
CID 57440549

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-methylthieno[2,3-c]pyridine?
The IUPAC name of 4-bromo-3-methylthieno[2,3-c]pyridine (CID 170773939) is 4-bromo-3-methylthieno[2,3-c]pyridine.
What is the SMILES notation for 4-bromo-3-methylthieno[2,3-c]pyridine?
The canonical SMILES for 4-bromo-3-methylthieno[2,3-c]pyridine is Cc1csc2cncc(Br)c12.
What is the InChIKey of 4-bromo-3-methylthieno[2,3-c]pyridine?
The InChIKey is VHPKJNDPCKAQKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrNS/c1-5-4-11-7-3-10-2-6(9)8(5)7/h2-4H,1H3.
What are the key properties of 4-bromo-3-methylthieno[2,3-c]pyridine?
4-bromo-3-methylthieno[2,3-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 4-bromo-3-methylthieno[2,3-c]pyridine is sourced from PubChem (CID 170773939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).