5-chloro-2,3-dihydroindole-1-carboxylic acid

C9H8ClNO2 — CID 68859490

IUPAC5-chloro-2,3-dihydroindole-1-carboxylic acid
SMILESO=C(O)N1CCc2cc(Cl)ccc21
InChIInChI=1S/C9H8ClNO2/c10-7-1-2-8-6(5-7)3-4-11(8)9(12)13/h1-2,5H,3-4H2,(H,12,13)
InChIKeyAWNMURUHZNMHCF-UHFFFAOYSA-N
MW197.62 g/mol
LogP2.38
Rot. Bonds

About 5-chloro-2,3-dihydroindole-1-carboxylic acid

5-chloro-2,3-dihydroindole-1-carboxylic acid (PubChem CID 68859490) has the molecular formula C9H8ClNO2 and a molecular weight of 197.62 g/mol. Its IUPAC name is 5-chloro-2,3-dihydroindole-1-carboxylic acid.

Molecular Properties

Compound Name5-chloro-2,3-dihydroindole-1-carboxylic acid
PubChem CID68859490
Molecular FormulaC9H8ClNO2
Molecular Weight197.62 g/mol
Exact Mass197.02
IUPAC Name5-chloro-2,3-dihydroindole-1-carboxylic acid
SMILESO=C(O)N1CCc2cc(Cl)ccc21
InChIInChI=1S/C9H8ClNO2/c10-7-1-2-8-6(5-7)3-4-11(8)9(12)13/h1-2,5H,3-4H2,(H,12,13)
InChIKeyAWNMURUHZNMHCF-UHFFFAOYSA-N
XLogP2.38
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.62
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-chloro-2,3-dihydroindole-1-carbothioamide
CID 45118592
5-(5-chloro-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one
CID 110742298
5-chloro-N-cyclohexyl-2,3-dihydroindole-1-carboxamide
CID 110747460
6-chloro-2,3-dihydroindole-1-carbonyl chloride
CID 139548954
methyl 6-chloro-3,4-dihydro-2H-quinoline-1-carboxylate
CID 82473511
1-(5-chloro-2,3-dihydroindol-1-yl)-2-(5-chloro-1H-indol-3-yl)ethane-1,2-dione
CID 45271900
7-chloro-N-phenyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 69222522
6-chloro-N-(4-chlorophenyl)-3,4-dihydro-2H-quinoline-1-carboxamide
CID 134093336
6-chloro-N-propan-2-yl-3,4-dihydro-2H-quinoline-1-carboxamide
CID 110747484
5-benzamido-2,3-dihydroindole-1-carboxylic acid
CID 23147979
6-bromo-2,3-dihydroindole-1-carboxylic acid
CID 118865239
5-[(E)-C-ethyl-N-hydroxycarbonimidoyl]-2,3-dihydroindole-1-carboxylic acid
CID 146500772

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2,3-dihydroindole-1-carboxylic acid?
The IUPAC name of 5-chloro-2,3-dihydroindole-1-carboxylic acid (CID 68859490) is 5-chloro-2,3-dihydroindole-1-carboxylic acid.
What is the SMILES notation for 5-chloro-2,3-dihydroindole-1-carboxylic acid?
The canonical SMILES for 5-chloro-2,3-dihydroindole-1-carboxylic acid is O=C(O)N1CCc2cc(Cl)ccc21.
What is the InChIKey of 5-chloro-2,3-dihydroindole-1-carboxylic acid?
The InChIKey is AWNMURUHZNMHCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClNO2/c10-7-1-2-8-6(5-7)3-4-11(8)9(12)13/h1-2,5H,3-4H2,(H,12,13).
What are the key properties of 5-chloro-2,3-dihydroindole-1-carboxylic acid?
5-chloro-2,3-dihydroindole-1-carboxylic acid has a molecular weight of 197.62 g/mol, XLogP of 2.38, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2,3-dihydroindole-1-carboxylic acid is sourced from PubChem (CID 68859490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).