methyl 7-bromo-5-methyl-4-oxothieno[3,2-c]pyridine-2-carboxylate

C10H8BrNO3S — CID 154671471

IUPACmethyl 7-bromo-5-methyl-4-oxothieno[3,2-c]pyridine-2-carboxylate
SMILESCOC(=O)c1cc2c(=O)n(C)cc(Br)c2s1
InChIInChI=1S/C10H8BrNO3S/c1-12-4-6(11)8-5(9(12)13)3-7(16-8)10(14)15-2/h3-4H,1-2H3
InChIKeyOHLQBJFPJWGYCB-UHFFFAOYSA-N
MW302.15 g/mol
LogP2.15
Rot. Bonds1

About methyl 7-bromo-5-methyl-4-oxothieno[3,2-c]pyridine-2-carboxylate

methyl 7-bromo-5-methyl-4-oxothieno[3,2-c]pyridine-2-carboxylate (PubChem CID 154671471) has the molecular formula C10H8BrNO3S and a molecular weight of 302.15 g/mol. Its IUPAC name is methyl 7-bromo-5-methyl-4-oxothieno[3,2-c]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 7-bromo-5-methyl-4-oxothieno[3,2-c]pyridine-2-carboxylate
PubChem CID154671471
Molecular FormulaC10H8BrNO3S
Molecular Weight302.15 g/mol
Exact Mass300.94
IUPAC Namemethyl 7-bromo-5-methyl-4-oxothieno[3,2-c]pyridine-2-carboxylate
SMILESCOC(=O)c1cc2c(=O)n(C)cc(Br)c2s1
InChIInChI=1S/C10H8BrNO3S/c1-12-4-6(11)8-5(9(12)13)3-7(16-8)10(14)15-2/h3-4H,1-2H3
InChIKeyOHLQBJFPJWGYCB-UHFFFAOYSA-N
XLogP2.15
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.15
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 7-bromo-5-methyl-4-oxothieno[3,2-c]pyridine-2-carboxylate?
The IUPAC name of methyl 7-bromo-5-methyl-4-oxothieno[3,2-c]pyridine-2-carboxylate (CID 154671471) is methyl 7-bromo-5-methyl-4-oxothieno[3,2-c]pyridine-2-carboxylate.
What is the SMILES notation for methyl 7-bromo-5-methyl-4-oxothieno[3,2-c]pyridine-2-carboxylate?
The canonical SMILES for methyl 7-bromo-5-methyl-4-oxothieno[3,2-c]pyridine-2-carboxylate is COC(=O)c1cc2c(=O)n(C)cc(Br)c2s1.
What is the InChIKey of methyl 7-bromo-5-methyl-4-oxothieno[3,2-c]pyridine-2-carboxylate?
The InChIKey is OHLQBJFPJWGYCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrNO3S/c1-12-4-6(11)8-5(9(12)13)3-7(16-8)10(14)15-2/h3-4H,1-2H3.
What are the key properties of methyl 7-bromo-5-methyl-4-oxothieno[3,2-c]pyridine-2-carboxylate?
methyl 7-bromo-5-methyl-4-oxothieno[3,2-c]pyridine-2-carboxylate has a molecular weight of 302.15 g/mol, XLogP of 2.15, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-bromo-5-methyl-4-oxothieno[3,2-c]pyridine-2-carboxylate is sourced from PubChem (CID 154671471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).