2-(7-chloro-1,2-dimethylindol-3-yl)-2-oxoacetic acid

C12H10ClNO3 — CID 82499374

IUPAC2-(7-chloro-1,2-dimethylindol-3-yl)-2-oxoacetic acid
SMILESCc1c(C(=O)C(=O)O)c2cccc(Cl)c2n1C
InChIInChI=1S/C12H10ClNO3/c1-6-9(11(15)12(16)17)7-4-3-5-8(13)10(7)14(6)2/h3-5H,1-2H3,(H,16,17)
InChIKeyYDNMQOCQFVYRON-UHFFFAOYSA-N
MW251.67 g/mol
LogP2.41
Rot. Bonds2

About 2-(7-chloro-1,2-dimethylindol-3-yl)-2-oxoacetic acid

2-(7-chloro-1,2-dimethylindol-3-yl)-2-oxoacetic acid (PubChem CID 82499374) has the molecular formula C12H10ClNO3 and a molecular weight of 251.67 g/mol. Its IUPAC name is 2-(7-chloro-1,2-dimethylindol-3-yl)-2-oxoacetic acid.

Molecular Properties

Compound Name2-(7-chloro-1,2-dimethylindol-3-yl)-2-oxoacetic acid
PubChem CID82499374
Molecular FormulaC12H10ClNO3
Molecular Weight251.67 g/mol
Exact Mass251.03
IUPAC Name2-(7-chloro-1,2-dimethylindol-3-yl)-2-oxoacetic acid
SMILESCc1c(C(=O)C(=O)O)c2cccc(Cl)c2n1C
InChIInChI=1S/C12H10ClNO3/c1-6-9(11(15)12(16)17)7-4-3-5-8(13)10(7)14(6)2/h3-5H,1-2H3,(H,16,17)
InChIKeyYDNMQOCQFVYRON-UHFFFAOYSA-N
XLogP2.41
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.67
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

1-(2,7-dichloro-1-methylindol-3-yl)ethanone
CID 82269332
2-(7-chloro-1,2-dimethylindol-3-yl)acetic acid
CID 82497008
7-ethyl-1,2-dimethylindole-3-carboxylic acid
CID 82493307
2-(2-chloro-6-methoxyphenyl)-2-oxoacetic acid
CID 117305827
2-(7-chloro-1,2-dimethylindol-3-yl)propan-1-amine
CID 82496910
1-(1,2-dimethylindol-3-yl)-2-pyrrolidin-1-ylethane-1,2-dione
CID 7087146
1,2,3-trimethylindole-7-carboxylic acid
CID 83963607
(2-chloro-6-methylphenyl)-phosphanylmethanone
CID 159149491
2-(ethylamino)-1-(7-fluoro-1,2-dimethylindol-3-yl)ethanone
CID 82498702
1-(7-chloro-4-methoxy-1,2-dimethylindol-3-yl)ethanone
CID 82499395
7-chloro-1,2-dimethyl-3-(piperidin-4-ylmethyl)indole
CID 98034395
1,3,8-trimethyl-2-oxoquinoline-4-carboxylic acid
CID 165484673

Frequently Asked Questions

What is the IUPAC name of 2-(7-chloro-1,2-dimethylindol-3-yl)-2-oxoacetic acid?
The IUPAC name of 2-(7-chloro-1,2-dimethylindol-3-yl)-2-oxoacetic acid (CID 82499374) is 2-(7-chloro-1,2-dimethylindol-3-yl)-2-oxoacetic acid.
What is the SMILES notation for 2-(7-chloro-1,2-dimethylindol-3-yl)-2-oxoacetic acid?
The canonical SMILES for 2-(7-chloro-1,2-dimethylindol-3-yl)-2-oxoacetic acid is Cc1c(C(=O)C(=O)O)c2cccc(Cl)c2n1C.
What is the InChIKey of 2-(7-chloro-1,2-dimethylindol-3-yl)-2-oxoacetic acid?
The InChIKey is YDNMQOCQFVYRON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO3/c1-6-9(11(15)12(16)17)7-4-3-5-8(13)10(7)14(6)2/h3-5H,1-2H3,(H,16,17).
What are the key properties of 2-(7-chloro-1,2-dimethylindol-3-yl)-2-oxoacetic acid?
2-(7-chloro-1,2-dimethylindol-3-yl)-2-oxoacetic acid has a molecular weight of 251.67 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chloro-1,2-dimethylindol-3-yl)-2-oxoacetic acid is sourced from PubChem (CID 82499374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).