7-hydroxy-2,4-dimethyl-1H-indole-3-carboxylic acid

C11H11NO3 — CID 105457119

IUPAC7-hydroxy-2,4-dimethyl-1H-indole-3-carboxylic acid
SMILESCc1[nH]c2c(O)ccc(C)c2c1C(=O)O
InChIInChI=1S/C11H11NO3/c1-5-3-4-7(13)10-8(5)9(11(14)15)6(2)12-10/h3-4,12-13H,1-2H3,(H,14,15)
InChIKeyYPLKCMITMLYERB-UHFFFAOYSA-N
MW205.21 g/mol
LogP2.19
Rot. Bonds1

About 7-hydroxy-2,4-dimethyl-1H-indole-3-carboxylic acid

7-hydroxy-2,4-dimethyl-1H-indole-3-carboxylic acid (PubChem CID 105457119) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is 7-hydroxy-2,4-dimethyl-1H-indole-3-carboxylic acid.

Molecular Properties

Compound Name7-hydroxy-2,4-dimethyl-1H-indole-3-carboxylic acid
PubChem CID105457119
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Name7-hydroxy-2,4-dimethyl-1H-indole-3-carboxylic acid
SMILESCc1[nH]c2c(O)ccc(C)c2c1C(=O)O
InChIInChI=1S/C11H11NO3/c1-5-3-4-7(13)10-8(5)9(11(14)15)6(2)12-10/h3-4,12-13H,1-2H3,(H,14,15)
InChIKeyYPLKCMITMLYERB-UHFFFAOYSA-N
XLogP2.19
TPSA73.32 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

7-hydroxy-2,4-dimethyl-1H-indole-3-carbaldehyde
CID 105443493
7-hydroxy-3,4-dimethyl-1H-indole-2-carbaldehyde
CID 105443504
3-acetyl-4,7-dimethyl-1H-indole-2-carboxylic acid
CID 84626563
2-bromo-6-hydroxy-3-methylbenzoic acid
CID 84794088
3-methoxycarbonyl-4,7-dimethyl-1H-indole-2-carboxylic acid
CID 54301666
7-hydroxy-4-methyl-1H-indole-3-carbaldehyde
CID 105435994
methyl 4-(2-aminoethyl)-7-hydroxy-2-methyl-1H-indole-3-carboxylate
CID 71200688
7-fluoro-2-methyl-1H-indole-3-carboxylic acid
CID 65335195
7-methoxy-2-methyl-1H-indole-3-carboxylic acid
CID 65335303
2,3,4-trihydroxy-8-methylnaphthalene-1-carboxylic acid
CID 130295390
5,8-dimethyl-2-oxo-1H-quinoline-4-carboxylic acid
CID 62038616
4-ethyl-8-methoxy-5-methyl-2-oxo-1H-quinoline-3-carboxylic acid
CID 84638531

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-2,4-dimethyl-1H-indole-3-carboxylic acid?
The IUPAC name of 7-hydroxy-2,4-dimethyl-1H-indole-3-carboxylic acid (CID 105457119) is 7-hydroxy-2,4-dimethyl-1H-indole-3-carboxylic acid.
What is the SMILES notation for 7-hydroxy-2,4-dimethyl-1H-indole-3-carboxylic acid?
The canonical SMILES for 7-hydroxy-2,4-dimethyl-1H-indole-3-carboxylic acid is Cc1[nH]c2c(O)ccc(C)c2c1C(=O)O.
What is the InChIKey of 7-hydroxy-2,4-dimethyl-1H-indole-3-carboxylic acid?
The InChIKey is YPLKCMITMLYERB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3/c1-5-3-4-7(13)10-8(5)9(11(14)15)6(2)12-10/h3-4,12-13H,1-2H3,(H,14,15).
What are the key properties of 7-hydroxy-2,4-dimethyl-1H-indole-3-carboxylic acid?
7-hydroxy-2,4-dimethyl-1H-indole-3-carboxylic acid has a molecular weight of 205.21 g/mol, XLogP of 2.19, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-2,4-dimethyl-1H-indole-3-carboxylic acid is sourced from PubChem (CID 105457119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).