6-(bromomethyl)thieno[2,3-b]pyridine-2-carboxylic acid

C9H6BrNO2S — CID 169229486

IUPAC6-(bromomethyl)thieno[2,3-b]pyridine-2-carboxylic acid
SMILESO=C(O)c1cc2ccc(CBr)nc2s1
InChIInChI=1S/C9H6BrNO2S/c10-4-6-2-1-5-3-7(9(12)13)14-8(5)11-6/h1-3H,4H2,(H,12,13)
InChIKeyZSUJDMHUAMHLPP-UHFFFAOYSA-N
MW272.12 g/mol
LogP2.89
Rot. Bonds2

About 6-(bromomethyl)thieno[2,3-b]pyridine-2-carboxylic acid

6-(bromomethyl)thieno[2,3-b]pyridine-2-carboxylic acid (PubChem CID 169229486) has the molecular formula C9H6BrNO2S and a molecular weight of 272.12 g/mol. Its IUPAC name is 6-(bromomethyl)thieno[2,3-b]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(bromomethyl)thieno[2,3-b]pyridine-2-carboxylic acid
PubChem CID169229486
Molecular FormulaC9H6BrNO2S
Molecular Weight272.12 g/mol
Exact Mass270.93
IUPAC Name6-(bromomethyl)thieno[2,3-b]pyridine-2-carboxylic acid
SMILESO=C(O)c1cc2ccc(CBr)nc2s1
InChIInChI=1S/C9H6BrNO2S/c10-4-6-2-1-5-3-7(9(12)13)14-8(5)11-6/h1-3H,4H2,(H,12,13)
InChIKeyZSUJDMHUAMHLPP-UHFFFAOYSA-N
XLogP2.89
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.12
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

6-[(2-ethyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methyl]thieno[2,3-b]pyridine-2-carboxylic acid
CID 169229525
6-(3-pyrrolidin-1-ylpropoxy)thieno[2,3-b]pyridine-2-carboxylic acid
CID 169229580
5-(bromomethyl)-1-benzothiophene-2-carboxylic acid
CID 19994692
6-fluorothieno[2,3-b]quinoline-2-carboxylic acid
CID 44754716
2-tert-butylthieno[2,3-d]pyrimidine-6-carboxylic acid
CID 84798200
thieno[2,3-f][1]benzothiole-2,6-dicarboxylic acid
CID 139034065
5-methylthieno[2,3-c]pyridine-2-carboxylic acid
CID 118346730
7-bromothieno[2,3-c]pyridine-2-carboxylic acid
CID 121231814
6-methyl-1-benzothiophene-2-carboxylic acid
CID 12813850
4-bromothieno[2,3-c]pyridine-2-carboxylic acid;ethane
CID 167523093
N,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 142528293
2-chlorothieno[2,3-b]pyrazine-6-carboxylic acid
CID 86680166

Frequently Asked Questions

What is the IUPAC name of 6-(bromomethyl)thieno[2,3-b]pyridine-2-carboxylic acid?
The IUPAC name of 6-(bromomethyl)thieno[2,3-b]pyridine-2-carboxylic acid (CID 169229486) is 6-(bromomethyl)thieno[2,3-b]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-(bromomethyl)thieno[2,3-b]pyridine-2-carboxylic acid?
The canonical SMILES for 6-(bromomethyl)thieno[2,3-b]pyridine-2-carboxylic acid is O=C(O)c1cc2ccc(CBr)nc2s1.
What is the InChIKey of 6-(bromomethyl)thieno[2,3-b]pyridine-2-carboxylic acid?
The InChIKey is ZSUJDMHUAMHLPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrNO2S/c10-4-6-2-1-5-3-7(9(12)13)14-8(5)11-6/h1-3H,4H2,(H,12,13).
What are the key properties of 6-(bromomethyl)thieno[2,3-b]pyridine-2-carboxylic acid?
6-(bromomethyl)thieno[2,3-b]pyridine-2-carboxylic acid has a molecular weight of 272.12 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(bromomethyl)thieno[2,3-b]pyridine-2-carboxylic acid is sourced from PubChem (CID 169229486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).