4-methoxy-1H-indole-2-carboxylic acid

C10H9NO3 — CID 907248

IUPAC4-methoxy-1H-indole-2-carboxylic acid
SMILESCOc1cccc2[nH]c(C(=O)O)cc12
InChIInChI=1S/C10H9NO3/c1-14-9-4-2-3-7-6(9)5-8(11-7)10(12)13/h2-5,11H,1H3,(H,12,13)
InChIKeyZZAVIQXQBBOHBB-UHFFFAOYSA-N
MW191.19 g/mol
LogP1.87
Rot. Bonds2

About 4-methoxy-1H-indole-2-carboxylic acid

4-methoxy-1H-indole-2-carboxylic acid (PubChem CID 907248) has the molecular formula C10H9NO3 and a molecular weight of 191.19 g/mol. Its IUPAC name is 4-methoxy-1H-indole-2-carboxylic acid.

Molecular Properties

Compound Name4-methoxy-1H-indole-2-carboxylic acid
PubChem CID907248
Molecular FormulaC10H9NO3
Molecular Weight191.19 g/mol
Exact Mass191.06
IUPAC Name4-methoxy-1H-indole-2-carboxylic acid
SMILESCOc1cccc2[nH]c(C(=O)O)cc12
InChIInChI=1S/C10H9NO3/c1-14-9-4-2-3-7-6(9)5-8(11-7)10(12)13/h2-5,11H,1H3,(H,12,13)
InChIKeyZZAVIQXQBBOHBB-UHFFFAOYSA-N
XLogP1.87
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 647460
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CID 821052
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CID 193949
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CID 410327
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CID 2735497
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CID 88958
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CID 25100119
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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1H-indole-2-carboxylic acid?
The IUPAC name of 4-methoxy-1H-indole-2-carboxylic acid (CID 907248) is 4-methoxy-1H-indole-2-carboxylic acid.
What is the SMILES notation for 4-methoxy-1H-indole-2-carboxylic acid?
The canonical SMILES for 4-methoxy-1H-indole-2-carboxylic acid is COc1cccc2[nH]c(C(=O)O)cc12.
What is the InChIKey of 4-methoxy-1H-indole-2-carboxylic acid?
The InChIKey is ZZAVIQXQBBOHBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO3/c1-14-9-4-2-3-7-6(9)5-8(11-7)10(12)13/h2-5,11H,1H3,(H,12,13).
What are the key properties of 4-methoxy-1H-indole-2-carboxylic acid?
4-methoxy-1H-indole-2-carboxylic acid has a molecular weight of 191.19 g/mol, XLogP of 1.87, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1H-indole-2-carboxylic acid is sourced from PubChem (CID 907248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).