5,7-dimethoxy-1H-indole-2-carboxylic acid

C11H11NO4 — CID 7131354

IUPAC5,7-dimethoxy-1H-indole-2-carboxylic acid
SMILESCOc1cc(OC)c2[nH]c(C(=O)O)cc2c1
InChIInChI=1S/C11H11NO4/c1-15-7-3-6-4-8(11(13)14)12-10(6)9(5-7)16-2/h3-5,12H,1-2H3,(H,13,14)
InChIKeyDJCNCVPGFAPGKP-UHFFFAOYSA-N
MW221.21 g/mol
LogP1.88
Rot. Bonds3

About 5,7-dimethoxy-1H-indole-2-carboxylic acid

5,7-dimethoxy-1H-indole-2-carboxylic acid (PubChem CID 7131354) has the molecular formula C11H11NO4 and a molecular weight of 221.21 g/mol. Its IUPAC name is 5,7-dimethoxy-1H-indole-2-carboxylic acid.

Molecular Properties

Compound Name5,7-dimethoxy-1H-indole-2-carboxylic acid
PubChem CID7131354
Molecular FormulaC11H11NO4
Molecular Weight221.21 g/mol
Exact Mass221.07
IUPAC Name5,7-dimethoxy-1H-indole-2-carboxylic acid
SMILESCOc1cc(OC)c2[nH]c(C(=O)O)cc2c1
InChIInChI=1S/C11H11NO4/c1-15-7-3-6-4-8(11(13)14)12-10(6)9(5-7)16-2/h3-5,12H,1-2H3,(H,13,14)
InChIKeyDJCNCVPGFAPGKP-UHFFFAOYSA-N
XLogP1.88
TPSA71.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.21
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-methoxy-5-[(5-methyl-2-pyridinyl)oxy]-1H-indole-2-carboxylic acid
CID 58236988
[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl] 5,7-dimethoxy-1H-indole-2-carboxylate
CID 30757345
(5,7-dimethoxy-1H-indol-2-yl)methanol
CID 84817994
2-(2,4,6-trimethoxyphenyl)-1H-imidazole-5-carboxylic acid
CID 62252679
[2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethyl] 5,7-dimethoxy-1H-indole-2-carboxylate
CID 46531872
(6,7-dimethyl-2-oxochromen-4-yl)methyl 5,7-dimethoxy-1H-indole-2-carboxylate
CID 46543151
[2-[N-(cyanomethyl)anilino]-2-oxoethyl] 5,7-dimethoxy-1H-indole-2-carboxylate
CID 46543094
[1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] 5,7-dimethoxy-1H-indole-2-carboxylate
CID 46531998
N-[1-(1,3-benzodioxol-5-yl)ethyl]-5,7-dimethoxy-1H-indole-2-carboxamide
CID 42942018
[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 5,7-dimethoxy-1H-indole-2-carboxylate
CID 46531869
methyl 7-methoxy-5-[(6-methyl-3-pyridinyl)oxy]-1H-indole-2-carboxylate
CID 58237066
methyl 6,8-dimethoxy-4-oxo-1H-quinoline-2-carboxylate
CID 53419693

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethoxy-1H-indole-2-carboxylic acid?
The IUPAC name of 5,7-dimethoxy-1H-indole-2-carboxylic acid (CID 7131354) is 5,7-dimethoxy-1H-indole-2-carboxylic acid.
What is the SMILES notation for 5,7-dimethoxy-1H-indole-2-carboxylic acid?
The canonical SMILES for 5,7-dimethoxy-1H-indole-2-carboxylic acid is COc1cc(OC)c2[nH]c(C(=O)O)cc2c1.
What is the InChIKey of 5,7-dimethoxy-1H-indole-2-carboxylic acid?
The InChIKey is DJCNCVPGFAPGKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO4/c1-15-7-3-6-4-8(11(13)14)12-10(6)9(5-7)16-2/h3-5,12H,1-2H3,(H,13,14).
What are the key properties of 5,7-dimethoxy-1H-indole-2-carboxylic acid?
5,7-dimethoxy-1H-indole-2-carboxylic acid has a molecular weight of 221.21 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethoxy-1H-indole-2-carboxylic acid is sourced from PubChem (CID 7131354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).