2-amino-5-chloro-1,3-dihydroindene-2-carboxylic acid

C10H10ClNO2 — CID 21295073

IUPAC2-amino-5-chloro-1,3-dihydroindene-2-carboxylic acid
SMILESNC1(C(=O)O)Cc2ccc(Cl)cc2C1
InChIInChI=1S/C10H10ClNO2/c11-8-2-1-6-4-10(12,9(13)14)5-7(6)3-8/h1-3H,4-5,12H2,(H,13,14)
InChIKeyHBEFHUVCZDCVQM-UHFFFAOYSA-N
MW211.65 g/mol
LogP1.22
Rot. Bonds1

About 2-amino-5-chloro-1,3-dihydroindene-2-carboxylic acid

2-amino-5-chloro-1,3-dihydroindene-2-carboxylic acid (PubChem CID 21295073) has the molecular formula C10H10ClNO2 and a molecular weight of 211.65 g/mol. Its IUPAC name is 2-amino-5-chloro-1,3-dihydroindene-2-carboxylic acid.

Molecular Properties

Compound Name2-amino-5-chloro-1,3-dihydroindene-2-carboxylic acid
PubChem CID21295073
Molecular FormulaC10H10ClNO2
Molecular Weight211.65 g/mol
Exact Mass211.04
IUPAC Name2-amino-5-chloro-1,3-dihydroindene-2-carboxylic acid
SMILESNC1(C(=O)O)Cc2ccc(Cl)cc2C1
InChIInChI=1S/C10H10ClNO2/c11-8-2-1-6-4-10(12,9(13)14)5-7(6)3-8/h1-3H,4-5,12H2,(H,13,14)
InChIKeyHBEFHUVCZDCVQM-UHFFFAOYSA-N
XLogP1.22
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.65
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-chloro-1,3-dihydroindene-2-carboxylic acid?
The IUPAC name of 2-amino-5-chloro-1,3-dihydroindene-2-carboxylic acid (CID 21295073) is 2-amino-5-chloro-1,3-dihydroindene-2-carboxylic acid.
What is the SMILES notation for 2-amino-5-chloro-1,3-dihydroindene-2-carboxylic acid?
The canonical SMILES for 2-amino-5-chloro-1,3-dihydroindene-2-carboxylic acid is NC1(C(=O)O)Cc2ccc(Cl)cc2C1.
What is the InChIKey of 2-amino-5-chloro-1,3-dihydroindene-2-carboxylic acid?
The InChIKey is HBEFHUVCZDCVQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO2/c11-8-2-1-6-4-10(12,9(13)14)5-7(6)3-8/h1-3H,4-5,12H2,(H,13,14).
What are the key properties of 2-amino-5-chloro-1,3-dihydroindene-2-carboxylic acid?
2-amino-5-chloro-1,3-dihydroindene-2-carboxylic acid has a molecular weight of 211.65 g/mol, XLogP of 1.22, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-chloro-1,3-dihydroindene-2-carboxylic acid is sourced from PubChem (CID 21295073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).