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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Related Compounds

2-(2-cyano-6-methylphenyl)-1,3-dihydroisoindole-5-carboxylic acid
CID 107106197
2-(2-pyridin-4-ylacetyl)-1,3-dihydroisoindole-5-carboxylic acid
CID 103997240
2-(5-methylpyrazine-2-carbonyl)-1,3-dihydroisoindole-5-carboxylic acid
CID 103997269
1,9-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaene-5,13-dicarboxylic acid
CID 11088185
3-methyl-4-(4-methylpiperazin-1-yl)benzoic acid
CID 62121474
8-fluoro-2-(3-methyl-4-pyridinyl)-3,4-dihydro-1H-isoquinolin-6-ol
CID 155959100
2-(tetrazolo[1,5-a]pyrazin-5-yl)-1,3-dihydroisoindole-5-carboxylic acid
CID 103997463
[3-(1,3-dihydroisoindol-2-yl)phenyl]-[4-(3-methyl-4-pyridinyl)-1,4-diazepan-1-yl]methanone;formic acid
CID 154915059
[4-(3-methyl-4-pyridinyl)piperazin-1-yl]-(2-phenylphenyl)methanone
CID 91767375
2-(5-chloro-2-methoxypyrimidin-4-yl)-1,3-dihydroisoindole-5-carboxylic acid
CID 103997491
2-pyrazolo[1,5-a]pyrazin-4-yl-1,3-dihydroisoindole-5-carboxylic acid
CID 104729800
2-(2-carboxyethyl)-1,3-dihydroisoindole-5-carboxylic acid
CID 82163503

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).