5-bromo-2-(6-methylthieno[2,3-d]pyrimidin-4-yl)oxybenzoic acid

C14H9BrN2O3S — CID 107730175

IUPAC5-bromo-2-(6-methylthieno[2,3-d]pyrimidin-4-yl)oxybenzoic acid
SMILESCc1cc2c(Oc3ccc(Br)cc3C(=O)O)ncnc2s1
InChIInChI=1S/C14H9BrN2O3S/c1-7-4-10-12(16-6-17-13(10)21-7)20-11-3-2-8(15)5-9(11)14(18)19/h2-6H,1H3,(H,18,19)
InChIKeyZCDPEXMPHQWGCH-UHFFFAOYSA-N
MW365.21 g/mol
LogP4.25
Rot. Bonds3

About 5-bromo-2-(6-methylthieno[2,3-d]pyrimidin-4-yl)oxybenzoic acid

5-bromo-2-(6-methylthieno[2,3-d]pyrimidin-4-yl)oxybenzoic acid (PubChem CID 107730175) has the molecular formula C14H9BrN2O3S and a molecular weight of 365.21 g/mol. Its IUPAC name is 5-bromo-2-(6-methylthieno[2,3-d]pyrimidin-4-yl)oxybenzoic acid.

Molecular Properties

Compound Name5-bromo-2-(6-methylthieno[2,3-d]pyrimidin-4-yl)oxybenzoic acid
PubChem CID107730175
Molecular FormulaC14H9BrN2O3S
Molecular Weight365.21 g/mol
Exact Mass363.95
IUPAC Name5-bromo-2-(6-methylthieno[2,3-d]pyrimidin-4-yl)oxybenzoic acid
SMILESCc1cc2c(Oc3ccc(Br)cc3C(=O)O)ncnc2s1
InChIInChI=1S/C14H9BrN2O3S/c1-7-4-10-12(16-6-17-13(10)21-7)20-11-3-2-8(15)5-9(11)14(18)19/h2-6H,1H3,(H,18,19)
InChIKeyZCDPEXMPHQWGCH-UHFFFAOYSA-N
XLogP4.25
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.21
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(6-methylthieno[2,3-d]pyrimidin-4-yl)oxybenzoic acid
CID 63616892
4-(6-methylthieno[2,3-d]pyrimidin-4-yl)oxythiophene-2-carboxylic acid
CID 66436488
5-bromo-2-[(3-bromo-5-methyl-2-pyridinyl)oxy]benzoic acid
CID 107730186
5-bromo-2-(4-bromo-2-carboxyphenoxy)benzoic acid
CID 54758731
5-bromo-2-[(5-bromo-3-fluoro-2-pyridinyl)oxy]benzoic acid
CID 114046913
4-(3,5-dimethoxyphenoxy)-6-methylthieno[2,3-d]pyrimidine
CID 133407602
5-bromo-2-(2,3,6-trimethylphenoxy)benzoic acid
CID 114896137
5-bromo-2-(6-ethylpyrimidin-4-yl)oxybenzoic acid
CID 107730256
6-methyl-4-(5-methyl-2-nitrophenoxy)thieno[2,3-d]pyrimidine
CID 133407813
2-methyl-4-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]benzoic acid
CID 63617886
5-bromo-2-pyrimidin-4-yloxybenzoic acid
CID 107730200
4-(2-iodo-5-nitrophenoxy)-6-methylthieno[2,3-d]pyrimidine
CID 133498802

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(6-methylthieno[2,3-d]pyrimidin-4-yl)oxybenzoic acid?
The IUPAC name of 5-bromo-2-(6-methylthieno[2,3-d]pyrimidin-4-yl)oxybenzoic acid (CID 107730175) is 5-bromo-2-(6-methylthieno[2,3-d]pyrimidin-4-yl)oxybenzoic acid.
What is the SMILES notation for 5-bromo-2-(6-methylthieno[2,3-d]pyrimidin-4-yl)oxybenzoic acid?
The canonical SMILES for 5-bromo-2-(6-methylthieno[2,3-d]pyrimidin-4-yl)oxybenzoic acid is Cc1cc2c(Oc3ccc(Br)cc3C(=O)O)ncnc2s1.
What is the InChIKey of 5-bromo-2-(6-methylthieno[2,3-d]pyrimidin-4-yl)oxybenzoic acid?
The InChIKey is ZCDPEXMPHQWGCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrN2O3S/c1-7-4-10-12(16-6-17-13(10)21-7)20-11-3-2-8(15)5-9(11)14(18)19/h2-6H,1H3,(H,18,19).
What are the key properties of 5-bromo-2-(6-methylthieno[2,3-d]pyrimidin-4-yl)oxybenzoic acid?
5-bromo-2-(6-methylthieno[2,3-d]pyrimidin-4-yl)oxybenzoic acid has a molecular weight of 365.21 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(6-methylthieno[2,3-d]pyrimidin-4-yl)oxybenzoic acid is sourced from PubChem (CID 107730175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).