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

C16H9ClF2N2O2S — CID 59450284

IUPAC7-chloro-1-(2,4-difluorophenyl)-4,5-dihydrothieno[2,3-g]indazole-3-carboxylic acid
SMILESO=C(O)c1nn(-c2ccc(F)cc2F)c2c1CCc1sc(Cl)cc1-2
InChIInChI=1S/C16H9ClF2N2O2S/c17-13-6-9-12(24-13)4-2-8-14(16(22)23)20-21(15(8)9)11-3-1-7(18)5-10(11)19/h1,3,5-6H,2,4H2,(H,22,23)
InChIKeyBQIKMWUMDHPVJY-UHFFFAOYSA-N
MW366.78 g/mol
LogP4.33
Rot. Bonds2

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

7-chloro-1-(2,4-difluorophenyl)-4,5-dihydrothieno[2,3-g]indazole-3-carboxylic acid (PubChem CID 59450284) has the molecular formula C16H9ClF2N2O2S and a molecular weight of 366.78 g/mol. Its IUPAC name is 7-chloro-1-(2,4-difluorophenyl)-4,5-dihydrothieno[2,3-g]indazole-3-carboxylic acid.

Molecular Properties

Compound Name7-chloro-1-(2,4-difluorophenyl)-4,5-dihydrothieno[2,3-g]indazole-3-carboxylic acid
PubChem CID59450284
Molecular FormulaC16H9ClF2N2O2S
Molecular Weight366.78 g/mol
Exact Mass366.00
IUPAC Name7-chloro-1-(2,4-difluorophenyl)-4,5-dihydrothieno[2,3-g]indazole-3-carboxylic acid
SMILESO=C(O)c1nn(-c2ccc(F)cc2F)c2c1CCc1sc(Cl)cc1-2
InChIInChI=1S/C16H9ClF2N2O2S/c17-13-6-9-12(24-13)4-2-8-14(16(22)23)20-21(15(8)9)11-3-1-7(18)5-10(11)19/h1,3,5-6H,2,4H2,(H,22,23)
InChIKeyBQIKMWUMDHPVJY-UHFFFAOYSA-N
XLogP4.33
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.78
LogP ≤ 54.33
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-difluorophenyl)-4,5-dihydrothieno[2,3-g]indazole-3-carboxylic acid?
The IUPAC name of 7-chloro-1-(2,4-difluorophenyl)-4,5-dihydrothieno[2,3-g]indazole-3-carboxylic acid (CID 59450284) is 7-chloro-1-(2,4-difluorophenyl)-4,5-dihydrothieno[2,3-g]indazole-3-carboxylic acid.
What is the SMILES notation for 7-chloro-1-(2,4-difluorophenyl)-4,5-dihydrothieno[2,3-g]indazole-3-carboxylic acid?
The canonical SMILES for 7-chloro-1-(2,4-difluorophenyl)-4,5-dihydrothieno[2,3-g]indazole-3-carboxylic acid is O=C(O)c1nn(-c2ccc(F)cc2F)c2c1CCc1sc(Cl)cc1-2.
What is the InChIKey of 7-chloro-1-(2,4-difluorophenyl)-4,5-dihydrothieno[2,3-g]indazole-3-carboxylic acid?
The InChIKey is BQIKMWUMDHPVJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9ClF2N2O2S/c17-13-6-9-12(24-13)4-2-8-14(16(22)23)20-21(15(8)9)11-3-1-7(18)5-10(11)19/h1,3,5-6H,2,4H2,(H,22,23).
What are the key properties of 7-chloro-1-(2,4-difluorophenyl)-4,5-dihydrothieno[2,3-g]indazole-3-carboxylic acid?
7-chloro-1-(2,4-difluorophenyl)-4,5-dihydrothieno[2,3-g]indazole-3-carboxylic acid has a molecular weight of 366.78 g/mol, XLogP of 4.33, 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-difluorophenyl)-4,5-dihydrothieno[2,3-g]indazole-3-carboxylic acid is sourced from PubChem (CID 59450284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).