2-(7-chloro-2-thiophen-2-yl-1H-indol-3-yl)acetic acid

C14H10ClNO2S — CID 43381492

IUPAC2-(7-chloro-2-thiophen-2-yl-1H-indol-3-yl)acetic acid
SMILESO=C(O)Cc1c(-c2cccs2)[nH]c2c(Cl)cccc12
InChIInChI=1S/C14H10ClNO2S/c15-10-4-1-3-8-9(7-12(17)18)14(16-13(8)10)11-5-2-6-19-11/h1-6,16H,7H2,(H,17,18)
InChIKeyDEDQAUUHWPKBIO-UHFFFAOYSA-N
MW291.76 g/mol
LogP4.18
Rot. Bonds3

About 2-(7-chloro-2-thiophen-2-yl-1H-indol-3-yl)acetic acid

2-(7-chloro-2-thiophen-2-yl-1H-indol-3-yl)acetic acid (PubChem CID 43381492) has the molecular formula C14H10ClNO2S and a molecular weight of 291.76 g/mol. Its IUPAC name is 2-(7-chloro-2-thiophen-2-yl-1H-indol-3-yl)acetic acid.

Molecular Properties

Compound Name2-(7-chloro-2-thiophen-2-yl-1H-indol-3-yl)acetic acid
PubChem CID43381492
Molecular FormulaC14H10ClNO2S
Molecular Weight291.76 g/mol
Exact Mass291.01
IUPAC Name2-(7-chloro-2-thiophen-2-yl-1H-indol-3-yl)acetic acid
SMILESO=C(O)Cc1c(-c2cccs2)[nH]c2c(Cl)cccc12
InChIInChI=1S/C14H10ClNO2S/c15-10-4-1-3-8-9(7-12(17)18)14(16-13(8)10)11-5-2-6-19-11/h1-6,16H,7H2,(H,17,18)
InChIKeyDEDQAUUHWPKBIO-UHFFFAOYSA-N
XLogP4.18
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.76
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

2-[7-chloro-2-(4-chlorophenyl)-1H-indol-3-yl]acetic acid
CID 4262211
2-[7-chloro-2-[4-(trifluoromethyl)phenyl]-1H-indol-3-yl]acetic acid
CID 4275640
2-[2-(2-bromo-4,5-dimethoxyphenyl)-7-chloro-1H-indol-3-yl]acetic acid
CID 5132474
2-[7-bromo-2-(4-chlorophenyl)-1H-indol-3-yl]acetic acid
CID 43542803
3-[7-chloro-2-(4-fluorophenyl)-1H-indol-3-yl]propanoic acid
CID 132992776
3-[2-(4-bromophenyl)-7-chloro-1H-indol-3-yl]propanoic acid
CID 165440969
2-[3-(4-aminobutyl)-2-thiophen-2-yl-1H-indol-5-yl]acetic acid
CID 3929624
2-[2-(2,4-dichlorophenyl)-7-ethyl-1H-indol-3-yl]acetic acid
CID 5027845
7-chloro-3-ethyl-1H-indole-2-carboxylic acid
CID 84624480
2-[(2-thiophen-2-yl-1H-indol-3-yl)sulfanyl]acetic acid
CID 674281
3-benzyl-2-thiophen-2-yl-1H-indole
CID 11087509
2-(4-methyl-6-oxo-2-thiophen-2-yl-1H-pyrimidin-5-yl)acetic acid
CID 135970682

Frequently Asked Questions

What is the IUPAC name of 2-(7-chloro-2-thiophen-2-yl-1H-indol-3-yl)acetic acid?
The IUPAC name of 2-(7-chloro-2-thiophen-2-yl-1H-indol-3-yl)acetic acid (CID 43381492) is 2-(7-chloro-2-thiophen-2-yl-1H-indol-3-yl)acetic acid.
What is the SMILES notation for 2-(7-chloro-2-thiophen-2-yl-1H-indol-3-yl)acetic acid?
The canonical SMILES for 2-(7-chloro-2-thiophen-2-yl-1H-indol-3-yl)acetic acid is O=C(O)Cc1c(-c2cccs2)[nH]c2c(Cl)cccc12.
What is the InChIKey of 2-(7-chloro-2-thiophen-2-yl-1H-indol-3-yl)acetic acid?
The InChIKey is DEDQAUUHWPKBIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClNO2S/c15-10-4-1-3-8-9(7-12(17)18)14(16-13(8)10)11-5-2-6-19-11/h1-6,16H,7H2,(H,17,18).
What are the key properties of 2-(7-chloro-2-thiophen-2-yl-1H-indol-3-yl)acetic acid?
2-(7-chloro-2-thiophen-2-yl-1H-indol-3-yl)acetic acid has a molecular weight of 291.76 g/mol, XLogP of 4.18, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chloro-2-thiophen-2-yl-1H-indol-3-yl)acetic acid is sourced from PubChem (CID 43381492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).