7-fluoro-1,3-dimethylindole-2-carboxylic acid

C11H10FNO2 — CID 82492326

IUPAC7-fluoro-1,3-dimethylindole-2-carboxylic acid
SMILESCc1c(C(=O)O)n(C)c2c(F)cccc12
InChIInChI=1S/C11H10FNO2/c1-6-7-4-3-5-8(12)10(7)13(2)9(6)11(14)15/h3-5H,1-2H3,(H,14,15)
InChIKeyLDHNMQQWDNZFPR-UHFFFAOYSA-N
MW207.20 g/mol
LogP2.32
Rot. Bonds1

About 7-fluoro-1,3-dimethylindole-2-carboxylic acid

7-fluoro-1,3-dimethylindole-2-carboxylic acid (PubChem CID 82492326) has the molecular formula C11H10FNO2 and a molecular weight of 207.20 g/mol. Its IUPAC name is 7-fluoro-1,3-dimethylindole-2-carboxylic acid.

Molecular Properties

Compound Name7-fluoro-1,3-dimethylindole-2-carboxylic acid
PubChem CID82492326
Molecular FormulaC11H10FNO2
Molecular Weight207.20 g/mol
Exact Mass207.07
IUPAC Name7-fluoro-1,3-dimethylindole-2-carboxylic acid
SMILESCc1c(C(=O)O)n(C)c2c(F)cccc12
InChIInChI=1S/C11H10FNO2/c1-6-7-4-3-5-8(12)10(7)13(2)9(6)11(14)15/h3-5H,1-2H3,(H,14,15)
InChIKeyLDHNMQQWDNZFPR-UHFFFAOYSA-N
XLogP2.32
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.20
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 72899
CID 72899
CID 1820
CID 1820
CID 259188
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CID 563822
CID 563822
CID 27695
CID 27695
CID 646116
CID 646116
CID 672547
CID 672547
CID 2752638
CID 2752638
CID 46398840
CID 46398840
CID 3544180
CID 3544180
CID 3640365
CID 3640365
CID 169313
CID 169313

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-1,3-dimethylindole-2-carboxylic acid?
The IUPAC name of 7-fluoro-1,3-dimethylindole-2-carboxylic acid (CID 82492326) is 7-fluoro-1,3-dimethylindole-2-carboxylic acid.
What is the SMILES notation for 7-fluoro-1,3-dimethylindole-2-carboxylic acid?
The canonical SMILES for 7-fluoro-1,3-dimethylindole-2-carboxylic acid is Cc1c(C(=O)O)n(C)c2c(F)cccc12.
What is the InChIKey of 7-fluoro-1,3-dimethylindole-2-carboxylic acid?
The InChIKey is LDHNMQQWDNZFPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNO2/c1-6-7-4-3-5-8(12)10(7)13(2)9(6)11(14)15/h3-5H,1-2H3,(H,14,15).
What are the key properties of 7-fluoro-1,3-dimethylindole-2-carboxylic acid?
7-fluoro-1,3-dimethylindole-2-carboxylic acid has a molecular weight of 207.20 g/mol, XLogP of 2.32, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-1,3-dimethylindole-2-carboxylic acid is sourced from PubChem (CID 82492326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).