2-bromo-4,5,6,7-tetrahydrothieno[2,3-c]pyridine;hydrobromide

C7H9Br2NS — CID 67027680

IUPAC2-bromo-4,5,6,7-tetrahydrothieno[2,3-c]pyridine;hydrobromide
SMILESBr.Brc1cc2c(s1)CNCC2
InChIInChI=1S/C7H8BrNS.BrH/c8-7-3-5-1-2-9-4-6(5)10-7;/h3,9H,1-2,4H2;1H
InChIKeyLYFTUUNJHCCTAO-UHFFFAOYSA-N
MW299.03 g/mol
LogP2.73
Rot. Bonds

About 2-bromo-4,5,6,7-tetrahydrothieno[2,3-c]pyridine;hydrobromide

2-bromo-4,5,6,7-tetrahydrothieno[2,3-c]pyridine;hydrobromide (PubChem CID 67027680) has the molecular formula C7H9Br2NS and a molecular weight of 299.03 g/mol. Its IUPAC name is 2-bromo-4,5,6,7-tetrahydrothieno[2,3-c]pyridine;hydrobromide.

Molecular Properties

Compound Name2-bromo-4,5,6,7-tetrahydrothieno[2,3-c]pyridine;hydrobromide
PubChem CID67027680
Molecular FormulaC7H9Br2NS
Molecular Weight299.03 g/mol
Exact Mass296.88
IUPAC Name2-bromo-4,5,6,7-tetrahydrothieno[2,3-c]pyridine;hydrobromide
SMILESBr.Brc1cc2c(s1)CNCC2
InChIInChI=1S/C7H8BrNS.BrH/c8-7-3-5-1-2-9-4-6(5)10-7;/h3,9H,1-2,4H2;1H
InChIKeyLYFTUUNJHCCTAO-UHFFFAOYSA-N
XLogP2.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.03
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4,5,6,7-tetrahydrothieno[2,3-c]pyridine;hydrobromide?
The IUPAC name of 2-bromo-4,5,6,7-tetrahydrothieno[2,3-c]pyridine;hydrobromide (CID 67027680) is 2-bromo-4,5,6,7-tetrahydrothieno[2,3-c]pyridine;hydrobromide.
What is the SMILES notation for 2-bromo-4,5,6,7-tetrahydrothieno[2,3-c]pyridine;hydrobromide?
The canonical SMILES for 2-bromo-4,5,6,7-tetrahydrothieno[2,3-c]pyridine;hydrobromide is Br.Brc1cc2c(s1)CNCC2.
What is the InChIKey of 2-bromo-4,5,6,7-tetrahydrothieno[2,3-c]pyridine;hydrobromide?
The InChIKey is LYFTUUNJHCCTAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrNS.BrH/c8-7-3-5-1-2-9-4-6(5)10-7;/h3,9H,1-2,4H2;1H.
What are the key properties of 2-bromo-4,5,6,7-tetrahydrothieno[2,3-c]pyridine;hydrobromide?
2-bromo-4,5,6,7-tetrahydrothieno[2,3-c]pyridine;hydrobromide has a molecular weight of 299.03 g/mol, XLogP of 2.73, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4,5,6,7-tetrahydrothieno[2,3-c]pyridine;hydrobromide is sourced from PubChem (CID 67027680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).