5-chloro-2,3-dihydro-1H-indole-2-carboxylic acid

C9H8ClNO2 — CID 18473684

IUPAC5-chloro-2,3-dihydro-1H-indole-2-carboxylic acid
SMILESO=C(O)C1Cc2cc(Cl)ccc2N1
InChIInChI=1S/C9H8ClNO2/c10-6-1-2-7-5(3-6)4-8(11-7)9(12)13/h1-3,8,11H,4H2,(H,12,13)
InChIKeyFXZZXHFPSBXQKT-UHFFFAOYSA-N
MW197.62 g/mol
LogP1.76
Rot. Bonds1

About 5-chloro-2,3-dihydro-1H-indole-2-carboxylic acid

5-chloro-2,3-dihydro-1H-indole-2-carboxylic acid (PubChem CID 18473684) has the molecular formula C9H8ClNO2 and a molecular weight of 197.62 g/mol. Its IUPAC name is 5-chloro-2,3-dihydro-1H-indole-2-carboxylic acid.

Molecular Properties

Compound Name5-chloro-2,3-dihydro-1H-indole-2-carboxylic acid
PubChem CID18473684
Molecular FormulaC9H8ClNO2
Molecular Weight197.62 g/mol
Exact Mass197.02
IUPAC Name5-chloro-2,3-dihydro-1H-indole-2-carboxylic acid
SMILESO=C(O)C1Cc2cc(Cl)ccc2N1
InChIInChI=1S/C9H8ClNO2/c10-6-1-2-7-5(3-6)4-8(11-7)9(12)13/h1-3,8,11H,4H2,(H,12,13)
InChIKeyFXZZXHFPSBXQKT-UHFFFAOYSA-N
XLogP1.76
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.62
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2,3-dihydro-1H-indole-2-carboxylic acid?
The IUPAC name of 5-chloro-2,3-dihydro-1H-indole-2-carboxylic acid (CID 18473684) is 5-chloro-2,3-dihydro-1H-indole-2-carboxylic acid.
What is the SMILES notation for 5-chloro-2,3-dihydro-1H-indole-2-carboxylic acid?
The canonical SMILES for 5-chloro-2,3-dihydro-1H-indole-2-carboxylic acid is O=C(O)C1Cc2cc(Cl)ccc2N1.
What is the InChIKey of 5-chloro-2,3-dihydro-1H-indole-2-carboxylic acid?
The InChIKey is FXZZXHFPSBXQKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClNO2/c10-6-1-2-7-5(3-6)4-8(11-7)9(12)13/h1-3,8,11H,4H2,(H,12,13).
What are the key properties of 5-chloro-2,3-dihydro-1H-indole-2-carboxylic acid?
5-chloro-2,3-dihydro-1H-indole-2-carboxylic acid has a molecular weight of 197.62 g/mol, XLogP of 1.76, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2,3-dihydro-1H-indole-2-carboxylic acid is sourced from PubChem (CID 18473684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).