2-(3-chloro-1-methylindol-2-yl)acetic acid

C11H10ClNO2 — CID 83891410

IUPAC2-(3-chloro-1-methylindol-2-yl)acetic acid
SMILESCn1c(CC(=O)O)c(Cl)c2ccccc21
InChIInChI=1S/C11H10ClNO2/c1-13-8-5-3-2-4-7(8)11(12)9(13)6-10(14)15/h2-5H,6H2,1H3,(H,14,15)
InChIKeyUUUDGJPKBKGFRX-UHFFFAOYSA-N
MW223.66 g/mol
LogP2.46
Rot. Bonds2

About 2-(3-chloro-1-methylindol-2-yl)acetic acid

2-(3-chloro-1-methylindol-2-yl)acetic acid (PubChem CID 83891410) has the molecular formula C11H10ClNO2 and a molecular weight of 223.66 g/mol. Its IUPAC name is 2-(3-chloro-1-methylindol-2-yl)acetic acid.

Molecular Properties

Compound Name2-(3-chloro-1-methylindol-2-yl)acetic acid
PubChem CID83891410
Molecular FormulaC11H10ClNO2
Molecular Weight223.66 g/mol
Exact Mass223.04
IUPAC Name2-(3-chloro-1-methylindol-2-yl)acetic acid
SMILESCn1c(CC(=O)O)c(Cl)c2ccccc21
InChIInChI=1S/C11H10ClNO2/c1-13-8-5-3-2-4-7(8)11(12)9(13)6-10(14)15/h2-5H,6H2,1H3,(H,14,15)
InChIKeyUUUDGJPKBKGFRX-UHFFFAOYSA-N
XLogP2.46
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 ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 82242835
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3-[2-[(4-chlorophenoxy)methyl]-1-methylindol-3-yl]prop-2-enoic acid
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2-(3-methyl-1-propan-2-ylindol-2-yl)acetic acid
CID 83860122
2-(1-methyl-3-phenylsulfanylindol-2-yl)acetate
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2-(carboxymethyl)-1-ethylindole-3-carboxylic acid
CID 13163081
2-butyl-1-methylindole-3-carboxylic acid
CID 18505279
3-chloro-N-(diaminomethylidene)-1-methylindole-2-carboxamide
CID 15290318
3-[(1,3-dimethylindol-2-yl)methyl-ethylamino]butanoic acid
CID 107236506
2-bromo-1-methylindole-3-carboxylic acid
CID 10800903
3-chloro-N-(2-hydroxypropyl)-1-methylindole-2-carboxamide
CID 110900786
2-(1-methyl-3-methylsulfanylindol-2-yl)-N-(2-phenylethyl)acetamide
CID 674273

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-1-methylindol-2-yl)acetic acid?
The IUPAC name of 2-(3-chloro-1-methylindol-2-yl)acetic acid (CID 83891410) is 2-(3-chloro-1-methylindol-2-yl)acetic acid.
What is the SMILES notation for 2-(3-chloro-1-methylindol-2-yl)acetic acid?
The canonical SMILES for 2-(3-chloro-1-methylindol-2-yl)acetic acid is Cn1c(CC(=O)O)c(Cl)c2ccccc21.
What is the InChIKey of 2-(3-chloro-1-methylindol-2-yl)acetic acid?
The InChIKey is UUUDGJPKBKGFRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO2/c1-13-8-5-3-2-4-7(8)11(12)9(13)6-10(14)15/h2-5H,6H2,1H3,(H,14,15).
What are the key properties of 2-(3-chloro-1-methylindol-2-yl)acetic acid?
2-(3-chloro-1-methylindol-2-yl)acetic acid has a molecular weight of 223.66 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-1-methylindol-2-yl)acetic acid is sourced from PubChem (CID 83891410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).