7-chloro-1-(2,4-dichlorophenyl)-4,5-dihydrothieno[3,2-g]indazole-3-carboxylic acid

C16H9Cl3N2O2S — CID 11553093

IUPAC7-chloro-1-(2,4-dichlorophenyl)-4,5-dihydrothieno[3,2-g]indazole-3-carboxylic acid
SMILESO=C(O)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCc1cc(Cl)sc1-2
InChIInChI=1S/C16H9Cl3N2O2S/c17-8-2-4-11(10(18)6-8)21-14-9(13(20-21)16(22)23)3-1-7-5-12(19)24-15(7)14/h2,4-6H,1,3H2,(H,22,23)
InChIKeyPILLRILNBJZXHM-UHFFFAOYSA-N
MW399.69 g/mol
LogP5.36
Rot. Bonds2

About 7-chloro-1-(2,4-dichlorophenyl)-4,5-dihydrothieno[3,2-g]indazole-3-carboxylic acid

7-chloro-1-(2,4-dichlorophenyl)-4,5-dihydrothieno[3,2-g]indazole-3-carboxylic acid (PubChem CID 11553093) has the molecular formula C16H9Cl3N2O2S and a molecular weight of 399.69 g/mol. Its IUPAC name is 7-chloro-1-(2,4-dichlorophenyl)-4,5-dihydrothieno[3,2-g]indazole-3-carboxylic acid.

Molecular Properties

Compound Name7-chloro-1-(2,4-dichlorophenyl)-4,5-dihydrothieno[3,2-g]indazole-3-carboxylic acid
PubChem CID11553093
Molecular FormulaC16H9Cl3N2O2S
Molecular Weight399.69 g/mol
Exact Mass397.95
IUPAC Name7-chloro-1-(2,4-dichlorophenyl)-4,5-dihydrothieno[3,2-g]indazole-3-carboxylic acid
SMILESO=C(O)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCc1cc(Cl)sc1-2
InChIInChI=1S/C16H9Cl3N2O2S/c17-8-2-4-11(10(18)6-8)21-14-9(13(20-21)16(22)23)3-1-7-5-12(19)24-15(7)14/h2,4-6H,1,3H2,(H,22,23)
InChIKeyPILLRILNBJZXHM-UHFFFAOYSA-N
XLogP5.36
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.69
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-(2,4-dichlorophenyl)-4,5-dihydrothieno[3,2-g]indazole-3-carboxylic acid?
The IUPAC name of 7-chloro-1-(2,4-dichlorophenyl)-4,5-dihydrothieno[3,2-g]indazole-3-carboxylic acid (CID 11553093) is 7-chloro-1-(2,4-dichlorophenyl)-4,5-dihydrothieno[3,2-g]indazole-3-carboxylic acid.
What is the SMILES notation for 7-chloro-1-(2,4-dichlorophenyl)-4,5-dihydrothieno[3,2-g]indazole-3-carboxylic acid?
The canonical SMILES for 7-chloro-1-(2,4-dichlorophenyl)-4,5-dihydrothieno[3,2-g]indazole-3-carboxylic acid is O=C(O)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCc1cc(Cl)sc1-2.
What is the InChIKey of 7-chloro-1-(2,4-dichlorophenyl)-4,5-dihydrothieno[3,2-g]indazole-3-carboxylic acid?
The InChIKey is PILLRILNBJZXHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9Cl3N2O2S/c17-8-2-4-11(10(18)6-8)21-14-9(13(20-21)16(22)23)3-1-7-5-12(19)24-15(7)14/h2,4-6H,1,3H2,(H,22,23).
What are the key properties of 7-chloro-1-(2,4-dichlorophenyl)-4,5-dihydrothieno[3,2-g]indazole-3-carboxylic acid?
7-chloro-1-(2,4-dichlorophenyl)-4,5-dihydrothieno[3,2-g]indazole-3-carboxylic acid has a molecular weight of 399.69 g/mol, XLogP of 5.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-(2,4-dichlorophenyl)-4,5-dihydrothieno[3,2-g]indazole-3-carboxylic acid is sourced from PubChem (CID 11553093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).