2-chloro-6-(1,3-dihydroisoindol-2-yl)benzoic acid

C15H12ClNO2 — CID 62206077

IUPAC2-chloro-6-(1,3-dihydroisoindol-2-yl)benzoic acid
SMILESO=C(O)c1c(Cl)cccc1N1Cc2ccccc2C1
InChIInChI=1S/C15H12ClNO2/c16-12-6-3-7-13(14(12)15(18)19)17-8-10-4-1-2-5-11(10)9-17/h1-7H,8-9H2,(H,18,19)
InChIKeyZXKYBCDTBQTZPP-UHFFFAOYSA-N
MW273.72 g/mol
LogP3.56
Rot. Bonds2

About 2-chloro-6-(1,3-dihydroisoindol-2-yl)benzoic acid

2-chloro-6-(1,3-dihydroisoindol-2-yl)benzoic acid (PubChem CID 62206077) has the molecular formula C15H12ClNO2 and a molecular weight of 273.72 g/mol. Its IUPAC name is 2-chloro-6-(1,3-dihydroisoindol-2-yl)benzoic acid.

Molecular Properties

Compound Name2-chloro-6-(1,3-dihydroisoindol-2-yl)benzoic acid
PubChem CID62206077
Molecular FormulaC15H12ClNO2
Molecular Weight273.72 g/mol
Exact Mass273.06
IUPAC Name2-chloro-6-(1,3-dihydroisoindol-2-yl)benzoic acid
SMILESO=C(O)c1c(Cl)cccc1N1Cc2ccccc2C1
InChIInChI=1S/C15H12ClNO2/c16-12-6-3-7-13(14(12)15(18)19)17-8-10-4-1-2-5-11(10)9-17/h1-7H,8-9H2,(H,18,19)
InChIKeyZXKYBCDTBQTZPP-UHFFFAOYSA-N
XLogP3.56
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.72
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(1,3-dihydroisoindol-2-yl)benzoic acid?
The IUPAC name of 2-chloro-6-(1,3-dihydroisoindol-2-yl)benzoic acid (CID 62206077) is 2-chloro-6-(1,3-dihydroisoindol-2-yl)benzoic acid.
What is the SMILES notation for 2-chloro-6-(1,3-dihydroisoindol-2-yl)benzoic acid?
The canonical SMILES for 2-chloro-6-(1,3-dihydroisoindol-2-yl)benzoic acid is O=C(O)c1c(Cl)cccc1N1Cc2ccccc2C1.
What is the InChIKey of 2-chloro-6-(1,3-dihydroisoindol-2-yl)benzoic acid?
The InChIKey is ZXKYBCDTBQTZPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO2/c16-12-6-3-7-13(14(12)15(18)19)17-8-10-4-1-2-5-11(10)9-17/h1-7H,8-9H2,(H,18,19).
What are the key properties of 2-chloro-6-(1,3-dihydroisoindol-2-yl)benzoic acid?
2-chloro-6-(1,3-dihydroisoindol-2-yl)benzoic acid has a molecular weight of 273.72 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(1,3-dihydroisoindol-2-yl)benzoic acid is sourced from PubChem (CID 62206077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).