2-(5-chloro-1-methylindol-2-yl)-2-hydroxyacetic acid

C11H10ClNO3 — CID 115072026

IUPAC2-(5-chloro-1-methylindol-2-yl)-2-hydroxyacetic acid
SMILESCn1c(C(O)C(=O)O)cc2cc(Cl)ccc21
InChIInChI=1S/C11H10ClNO3/c1-13-8-3-2-7(12)4-6(8)5-9(13)10(14)11(15)16/h2-5,10,14H,1H3,(H,15,16)
InChIKeyAXLIUMDQKIAHJN-UHFFFAOYSA-N
MW239.66 g/mol
LogP1.95
Rot. Bonds2

About 2-(5-chloro-1-methylindol-2-yl)-2-hydroxyacetic acid

2-(5-chloro-1-methylindol-2-yl)-2-hydroxyacetic acid (PubChem CID 115072026) has the molecular formula C11H10ClNO3 and a molecular weight of 239.66 g/mol. Its IUPAC name is 2-(5-chloro-1-methylindol-2-yl)-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-(5-chloro-1-methylindol-2-yl)-2-hydroxyacetic acid
PubChem CID115072026
Molecular FormulaC11H10ClNO3
Molecular Weight239.66 g/mol
Exact Mass239.03
IUPAC Name2-(5-chloro-1-methylindol-2-yl)-2-hydroxyacetic acid
SMILESCn1c(C(O)C(=O)O)cc2cc(Cl)ccc21
InChIInChI=1S/C11H10ClNO3/c1-13-8-3-2-7(12)4-6(8)5-9(13)10(14)11(15)16/h2-5,10,14H,1H3,(H,15,16)
InChIKeyAXLIUMDQKIAHJN-UHFFFAOYSA-N
XLogP1.95
TPSA62.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.66
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-bromo-1-methylindol-2-yl)-2-hydroxyacetic acid
CID 115072027
methyl 2-amino-2-(5-chloro-1-methylindol-2-yl)acetate
CID 115072020
1-(5-chloro-1-methylindol-2-yl)ethanone;ethane
CID 145281717
methyl 5-chloro-1-methylindole-2-carboxylate
CID 4777715
3-acetyl-6-chloro-1-methylquinolin-2-one
CID 118953914
3-(5-chloro-1-methylbenzimidazol-2-yl)-2,3-dihydroxypropanoic acid
CID 54772628
2-(5-chloro-1-methylindol-2-yl)-2-cyclobutylethanamine
CID 82666540
(1S)-1-(5-chloro-1-methylindol-2-yl)-6-(3-chlorophenyl)hexan-1-ol
CID 122600353
2-[2-[(5-chloro-1-methylindole-2-carbonyl)amino]propanoylamino]-3-methylbutanoic acid
CID 4839787
azetidin-1-yl-(5-chloro-1-methylindol-2-yl)methanone
CID 141372490
5-chloro-N-(diaminomethylidene)-1-methylindole-2-carboxamide
CID 15290298
2-(4-bromo-1-methylindol-2-yl)-2-hydroxyacetic acid
CID 115071837

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1-methylindol-2-yl)-2-hydroxyacetic acid?
The IUPAC name of 2-(5-chloro-1-methylindol-2-yl)-2-hydroxyacetic acid (CID 115072026) is 2-(5-chloro-1-methylindol-2-yl)-2-hydroxyacetic acid.
What is the SMILES notation for 2-(5-chloro-1-methylindol-2-yl)-2-hydroxyacetic acid?
The canonical SMILES for 2-(5-chloro-1-methylindol-2-yl)-2-hydroxyacetic acid is Cn1c(C(O)C(=O)O)cc2cc(Cl)ccc21.
What is the InChIKey of 2-(5-chloro-1-methylindol-2-yl)-2-hydroxyacetic acid?
The InChIKey is AXLIUMDQKIAHJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO3/c1-13-8-3-2-7(12)4-6(8)5-9(13)10(14)11(15)16/h2-5,10,14H,1H3,(H,15,16).
What are the key properties of 2-(5-chloro-1-methylindol-2-yl)-2-hydroxyacetic acid?
2-(5-chloro-1-methylindol-2-yl)-2-hydroxyacetic acid has a molecular weight of 239.66 g/mol, XLogP of 1.95, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-1-methylindol-2-yl)-2-hydroxyacetic acid is sourced from PubChem (CID 115072026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).