4-(4-cyano-2-methylthieno[2,3-b]pyrrol-6-yl)-2-hydroxybenzoic acid

C15H10N2O3S — CID 71532209

IUPAC4-(4-cyano-2-methylthieno[2,3-b]pyrrol-6-yl)-2-hydroxybenzoic acid
SMILESCc1cc2c(C#N)cn(-c3ccc(C(=O)O)c(O)c3)c2s1
InChIInChI=1S/C15H10N2O3S/c1-8-4-12-9(6-16)7-17(14(12)21-8)10-2-3-11(15(19)20)13(18)5-10/h2-5,7,18H,1H3,(H,19,20)
InChIKeyJSCFKTPMHGRJFZ-UHFFFAOYSA-N
MW298.32 g/mol
LogP3.28
Rot. Bonds2

About 4-(4-cyano-2-methylthieno[2,3-b]pyrrol-6-yl)-2-hydroxybenzoic acid

4-(4-cyano-2-methylthieno[2,3-b]pyrrol-6-yl)-2-hydroxybenzoic acid (PubChem CID 71532209) has the molecular formula C15H10N2O3S and a molecular weight of 298.32 g/mol. Its IUPAC name is 4-(4-cyano-2-methylthieno[2,3-b]pyrrol-6-yl)-2-hydroxybenzoic acid.

Molecular Properties

Compound Name4-(4-cyano-2-methylthieno[2,3-b]pyrrol-6-yl)-2-hydroxybenzoic acid
PubChem CID71532209
Molecular FormulaC15H10N2O3S
Molecular Weight298.32 g/mol
Exact Mass298.04
IUPAC Name4-(4-cyano-2-methylthieno[2,3-b]pyrrol-6-yl)-2-hydroxybenzoic acid
SMILESCc1cc2c(C#N)cn(-c3ccc(C(=O)O)c(O)c3)c2s1
InChIInChI=1S/C15H10N2O3S/c1-8-4-12-9(6-16)7-17(14(12)21-8)10-2-3-11(15(19)20)13(18)5-10/h2-5,7,18H,1H3,(H,19,20)
InChIKeyJSCFKTPMHGRJFZ-UHFFFAOYSA-N
XLogP3.28
TPSA86.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-cyano-5-hydroxy-6-methylindol-1-yl)-2-hydroxybenzoic acid
CID 58437302
4-(3-cyanoindol-1-yl)-2-hydroxybenzoic acid
CID 58437243
4-(3-cyano-5-fluoroindol-1-yl)-2-hydroxybenzoic acid
CID 25020793
4-(3-cyano-5-phenylindol-1-yl)-2-hydroxybenzoic acid
CID 58437277
4-(3-amino-4-cyano-2-methoxycarbonylpyrrol-1-yl)-2-hydroxybenzoic acid
CID 168511718
4-[3-cyano-6-(3-hydroxypropoxy)indol-1-yl]-2-hydroxybenzoic acid
CID 58437404
4-(3-cyanoindol-1-yl)-2-hydroxybenzamide
CID 141458608
4-(6-cyano-2-methylthieno[3,2-b]pyrrol-4-yl)-2-(methoxymethoxy)benzoic acid
CID 141420239
ethyl 4-(3-cyano-5,6-difluoroindol-1-yl)-2-hydroxybenzoate
CID 58437226
4-(3-cyanopyrrol-1-yl)-2-hydroxybenzoic acid
CID 59477772
4-(3-cyanoindol-1-yl)-2-methoxybenzoic acid
CID 58437505
methyl 4-[3-cyano-5-(2-methoxyethoxy)-6-methylindol-1-yl]-2-hydroxybenzoate
CID 145493914

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyano-2-methylthieno[2,3-b]pyrrol-6-yl)-2-hydroxybenzoic acid?
The IUPAC name of 4-(4-cyano-2-methylthieno[2,3-b]pyrrol-6-yl)-2-hydroxybenzoic acid (CID 71532209) is 4-(4-cyano-2-methylthieno[2,3-b]pyrrol-6-yl)-2-hydroxybenzoic acid.
What is the SMILES notation for 4-(4-cyano-2-methylthieno[2,3-b]pyrrol-6-yl)-2-hydroxybenzoic acid?
The canonical SMILES for 4-(4-cyano-2-methylthieno[2,3-b]pyrrol-6-yl)-2-hydroxybenzoic acid is Cc1cc2c(C#N)cn(-c3ccc(C(=O)O)c(O)c3)c2s1.
What is the InChIKey of 4-(4-cyano-2-methylthieno[2,3-b]pyrrol-6-yl)-2-hydroxybenzoic acid?
The InChIKey is JSCFKTPMHGRJFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2O3S/c1-8-4-12-9(6-16)7-17(14(12)21-8)10-2-3-11(15(19)20)13(18)5-10/h2-5,7,18H,1H3,(H,19,20).
What are the key properties of 4-(4-cyano-2-methylthieno[2,3-b]pyrrol-6-yl)-2-hydroxybenzoic acid?
4-(4-cyano-2-methylthieno[2,3-b]pyrrol-6-yl)-2-hydroxybenzoic acid has a molecular weight of 298.32 g/mol, XLogP of 3.28, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyano-2-methylthieno[2,3-b]pyrrol-6-yl)-2-hydroxybenzoic acid is sourced from PubChem (CID 71532209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).