4-chloro-2-ethyl-5-hydroxy-1H-indole-3-carboxylic acid

C11H10ClNO3 — CID 84701518

IUPAC4-chloro-2-ethyl-5-hydroxy-1H-indole-3-carboxylic acid
SMILESCCc1[nH]c2ccc(O)c(Cl)c2c1C(=O)O
InChIInChI=1S/C11H10ClNO3/c1-2-5-9(11(15)16)8-6(13-5)3-4-7(14)10(8)12/h3-4,13-14H,2H2,1H3,(H,15,16)
InChIKeyHUCOZFOVOPXYHO-UHFFFAOYSA-N
MW239.66 g/mol
LogP2.79
Rot. Bonds2

About 4-chloro-2-ethyl-5-hydroxy-1H-indole-3-carboxylic acid

4-chloro-2-ethyl-5-hydroxy-1H-indole-3-carboxylic acid (PubChem CID 84701518) has the molecular formula C11H10ClNO3 and a molecular weight of 239.66 g/mol. Its IUPAC name is 4-chloro-2-ethyl-5-hydroxy-1H-indole-3-carboxylic acid.

Molecular Properties

Compound Name4-chloro-2-ethyl-5-hydroxy-1H-indole-3-carboxylic acid
PubChem CID84701518
Molecular FormulaC11H10ClNO3
Molecular Weight239.66 g/mol
Exact Mass239.03
IUPAC Name4-chloro-2-ethyl-5-hydroxy-1H-indole-3-carboxylic acid
SMILESCCc1[nH]c2ccc(O)c(Cl)c2c1C(=O)O
InChIInChI=1S/C11H10ClNO3/c1-2-5-9(11(15)16)8-6(13-5)3-4-7(14)10(8)12/h3-4,13-14H,2H2,1H3,(H,15,16)
InChIKeyHUCOZFOVOPXYHO-UHFFFAOYSA-N
XLogP2.79
TPSA73.32 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.66
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2-ethyl-5-hydroxy-1H-indole-3-carbaldehyde
CID 84712000
3-(aminomethyl)-4-chloro-2-methyl-1H-indol-5-ol
CID 84678039
1-chloro-2-hydroxy-10H-acridin-9-one
CID 131713832
4-chloro-5-hydroxy-2-methyl-1H-indole-3-carbonitrile
CID 84674723
sodium;3-chloro-4-hydroxyphthalic acid;hydride
CID 173314092
4-chloro-3-ethyl-5-methyl-1H-pyrrole-2-carboxylic acid
CID 67211432
2-ethyl-7-fluoro-1H-indole-3-carboxylic acid
CID 84674927
3-chloro-2-fluoro-4-hydroxybenzoic acid
CID 11735652
2-chloro-1-ethoxy-3-methyl-9H-carbazole-4-carboxylic acid
CID 69282857
2-(3,4-dichloro-1H-indol-2-yl)acetic acid
CID 67922081
3-(3-chloro-2-ethyl-4-hydroxyphenyl)prop-2-enoic acid
CID 67389281
2-cyano-3-ethyl-6-hydroxybenzoic acid
CID 118994597

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-ethyl-5-hydroxy-1H-indole-3-carboxylic acid?
The IUPAC name of 4-chloro-2-ethyl-5-hydroxy-1H-indole-3-carboxylic acid (CID 84701518) is 4-chloro-2-ethyl-5-hydroxy-1H-indole-3-carboxylic acid.
What is the SMILES notation for 4-chloro-2-ethyl-5-hydroxy-1H-indole-3-carboxylic acid?
The canonical SMILES for 4-chloro-2-ethyl-5-hydroxy-1H-indole-3-carboxylic acid is CCc1[nH]c2ccc(O)c(Cl)c2c1C(=O)O.
What is the InChIKey of 4-chloro-2-ethyl-5-hydroxy-1H-indole-3-carboxylic acid?
The InChIKey is HUCOZFOVOPXYHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO3/c1-2-5-9(11(15)16)8-6(13-5)3-4-7(14)10(8)12/h3-4,13-14H,2H2,1H3,(H,15,16).
What are the key properties of 4-chloro-2-ethyl-5-hydroxy-1H-indole-3-carboxylic acid?
4-chloro-2-ethyl-5-hydroxy-1H-indole-3-carboxylic acid has a molecular weight of 239.66 g/mol, XLogP of 2.79, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-ethyl-5-hydroxy-1H-indole-3-carboxylic acid is sourced from PubChem (CID 84701518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).