2-(3-methyl-4-pyridinyl)-1,3-dihydroisoindole-5-carboxylic acid

C15H14N2O2 — CID 113363510

IUPAC2-(3-methyl-4-pyridinyl)-1,3-dihydroisoindole-5-carboxylic acid
SMILESCc1cnccc1N1Cc2ccc(C(=O)O)cc2C1
InChIInChI=1S/C15H14N2O2/c1-10-7-16-5-4-14(10)17-8-12-3-2-11(15(18)19)6-13(12)9-17/h2-7H,8-9H2,1H3,(H,18,19)
InChIKeyCPVNIFKNVAPLJV-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.61
Rot. Bonds2

About 2-(3-methyl-4-pyridinyl)-1,3-dihydroisoindole-5-carboxylic acid

2-(3-methyl-4-pyridinyl)-1,3-dihydroisoindole-5-carboxylic acid (PubChem CID 113363510) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-(3-methyl-4-pyridinyl)-1,3-dihydroisoindole-5-carboxylic acid.

Molecular Properties

Compound Name2-(3-methyl-4-pyridinyl)-1,3-dihydroisoindole-5-carboxylic acid
PubChem CID113363510
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name2-(3-methyl-4-pyridinyl)-1,3-dihydroisoindole-5-carboxylic acid
SMILESCc1cnccc1N1Cc2ccc(C(=O)O)cc2C1
InChIInChI=1S/C15H14N2O2/c1-10-7-16-5-4-14(10)17-8-12-3-2-11(15(18)19)6-13(12)9-17/h2-7H,8-9H2,1H3,(H,18,19)
InChIKeyCPVNIFKNVAPLJV-UHFFFAOYSA-N
XLogP2.61
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-4-pyridinyl)-1,3-dihydroisoindole-5-carboxylic acid?
The IUPAC name of 2-(3-methyl-4-pyridinyl)-1,3-dihydroisoindole-5-carboxylic acid (CID 113363510) is 2-(3-methyl-4-pyridinyl)-1,3-dihydroisoindole-5-carboxylic acid.
What is the SMILES notation for 2-(3-methyl-4-pyridinyl)-1,3-dihydroisoindole-5-carboxylic acid?
The canonical SMILES for 2-(3-methyl-4-pyridinyl)-1,3-dihydroisoindole-5-carboxylic acid is Cc1cnccc1N1Cc2ccc(C(=O)O)cc2C1.
What is the InChIKey of 2-(3-methyl-4-pyridinyl)-1,3-dihydroisoindole-5-carboxylic acid?
The InChIKey is CPVNIFKNVAPLJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c1-10-7-16-5-4-14(10)17-8-12-3-2-11(15(18)19)6-13(12)9-17/h2-7H,8-9H2,1H3,(H,18,19).
What are the key properties of 2-(3-methyl-4-pyridinyl)-1,3-dihydroisoindole-5-carboxylic acid?
2-(3-methyl-4-pyridinyl)-1,3-dihydroisoindole-5-carboxylic acid has a molecular weight of 254.29 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-4-pyridinyl)-1,3-dihydroisoindole-5-carboxylic acid is sourced from PubChem (CID 113363510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).