2-(6-chloro-5-methylindol-1-yl)acetic acid

C11H10ClNO2 — CID 83944399

IUPAC2-(6-chloro-5-methylindol-1-yl)acetic acid
SMILESCc1cc2ccn(CC(=O)O)c2cc1Cl
InChIInChI=1S/C11H10ClNO2/c1-7-4-8-2-3-13(6-11(14)15)10(8)5-9(7)12/h2-5H,6H2,1H3,(H,14,15)
InChIKeyNXQRAWANIYFRSZ-UHFFFAOYSA-N
MW223.66 g/mol
LogP2.69
Rot. Bonds2

About 2-(6-chloro-5-methylindol-1-yl)acetic acid

2-(6-chloro-5-methylindol-1-yl)acetic acid (PubChem CID 83944399) has the molecular formula C11H10ClNO2 and a molecular weight of 223.66 g/mol. Its IUPAC name is 2-(6-chloro-5-methylindol-1-yl)acetic acid.

Molecular Properties

Compound Name2-(6-chloro-5-methylindol-1-yl)acetic acid
PubChem CID83944399
Molecular FormulaC11H10ClNO2
Molecular Weight223.66 g/mol
Exact Mass223.04
IUPAC Name2-(6-chloro-5-methylindol-1-yl)acetic acid
SMILESCc1cc2ccn(CC(=O)O)c2cc1Cl
InChIInChI=1S/C11H10ClNO2/c1-7-4-8-2-3-13(6-11(14)15)10(8)5-9(7)12/h2-5H,6H2,1H3,(H,14,15)
InChIKeyNXQRAWANIYFRSZ-UHFFFAOYSA-N
XLogP2.69
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.66
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(6-chloro-5-methylindol-1-yl)ethanol
CID 83944384
2-(5,6-diethoxyindol-1-yl)acetic acid
CID 83944709
2-(6-fluoroindol-1-yl)acetic acid
CID 6498201
1-(carboxymethyl)indole-6-carboxylic acid
CID 83948256
3-(6-chloro-5-methoxyindol-1-yl)propanoic acid
CID 82499558
2-(6-chloroindol-1-yl)-1-(2-methylphenyl)ethanone
CID 62024325
2-(5-methylpyrrolo[2,3-b]pyridin-1-yl)acetic acid
CID 117223851
2-[6-(1-hydroxy-7-methylisoindol-2-yl)indol-1-yl]acetic acid
CID 91397704
2-[5-(dimethylcarbamothioyloxy)indol-1-yl]acetic acid
CID 22504941
2-(5,6-dimethylindol-1-yl)ethanol
CID 83944319
2-(5-piperidin-1-ylsulfonylindol-1-yl)acetic acid
CID 20888287
ethane;methane;2-(5-propylsulfonylindol-1-yl)acetic acid;2-(6-propylsulfonylindol-1-yl)acetic acid
CID 158485729

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-5-methylindol-1-yl)acetic acid?
The IUPAC name of 2-(6-chloro-5-methylindol-1-yl)acetic acid (CID 83944399) is 2-(6-chloro-5-methylindol-1-yl)acetic acid.
What is the SMILES notation for 2-(6-chloro-5-methylindol-1-yl)acetic acid?
The canonical SMILES for 2-(6-chloro-5-methylindol-1-yl)acetic acid is Cc1cc2ccn(CC(=O)O)c2cc1Cl.
What is the InChIKey of 2-(6-chloro-5-methylindol-1-yl)acetic acid?
The InChIKey is NXQRAWANIYFRSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO2/c1-7-4-8-2-3-13(6-11(14)15)10(8)5-9(7)12/h2-5H,6H2,1H3,(H,14,15).
What are the key properties of 2-(6-chloro-5-methylindol-1-yl)acetic acid?
2-(6-chloro-5-methylindol-1-yl)acetic acid has a molecular weight of 223.66 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-5-methylindol-1-yl)acetic acid is sourced from PubChem (CID 83944399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).