1-[(6-methyl-2-pyridinyl)methyl]-2,3-dihydroindene-1-carboxylic acid

C17H17NO2 — CID 79429267

IUPAC1-[(6-methyl-2-pyridinyl)methyl]-2,3-dihydroindene-1-carboxylic acid
SMILESCc1cccc(CC2(C(=O)O)CCc3ccccc32)n1
InChIInChI=1S/C17H17NO2/c1-12-5-4-7-14(18-12)11-17(16(19)20)10-9-13-6-2-3-8-15(13)17/h2-8H,9-11H2,1H3,(H,19,20)
InChIKeyIBQRRZSZHCWEJV-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.90
Rot. Bonds3

About 1-[(6-methyl-2-pyridinyl)methyl]-2,3-dihydroindene-1-carboxylic acid

1-[(6-methyl-2-pyridinyl)methyl]-2,3-dihydroindene-1-carboxylic acid (PubChem CID 79429267) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 1-[(6-methyl-2-pyridinyl)methyl]-2,3-dihydroindene-1-carboxylic acid.

Molecular Properties

Compound Name1-[(6-methyl-2-pyridinyl)methyl]-2,3-dihydroindene-1-carboxylic acid
PubChem CID79429267
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name1-[(6-methyl-2-pyridinyl)methyl]-2,3-dihydroindene-1-carboxylic acid
SMILESCc1cccc(CC2(C(=O)O)CCc3ccccc32)n1
InChIInChI=1S/C17H17NO2/c1-12-5-4-7-14(18-12)11-17(16(19)20)10-9-13-6-2-3-8-15(13)17/h2-8H,9-11H2,1H3,(H,19,20)
InChIKeyIBQRRZSZHCWEJV-UHFFFAOYSA-N
XLogP2.90
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-chlorophenyl)methyl]-2,3-dihydroindene-1-carboxylic acid
CID 65409313
1-(3-hydroxy-3-methylbutyl)-2,3-dihydroindene-1-carboxylic acid
CID 79428309
1-but-2-enyl-2,3-dihydroindene-1-carboxylic acid
CID 79428785
1-(3-hydroxypropyl)-2,3-dihydroindene-1-carboxylic acid
CID 79429175
1-(2-methylbutyl)-2,3-dihydroindene-1-carboxylic acid
CID 65408733
3-[(6-methyl-2-pyridinyl)methyl]oxolane-3-carboxylic acid
CID 79424949
1-[(2,5-difluorophenyl)methyl]-2,3-dihydroindene-1-carboxylic acid
CID 65407201
(7R)-7-benzylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxylic acid
CID 125469336
1-[(6-methyl-2-pyridinyl)methyl]cyclopropan-1-amine
CID 130515545
(1S)-1-methyl-2,3-dihydroindene-1-carboxylic acid
CID 124509477
1-(2-propan-2-ylsulfonylethyl)-2,3-dihydroindene-1-carboxylic acid
CID 106734122
1-[(6-chloro-3-pyridinyl)methyl]-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 83067632

Frequently Asked Questions

What is the IUPAC name of 1-[(6-methyl-2-pyridinyl)methyl]-2,3-dihydroindene-1-carboxylic acid?
The IUPAC name of 1-[(6-methyl-2-pyridinyl)methyl]-2,3-dihydroindene-1-carboxylic acid (CID 79429267) is 1-[(6-methyl-2-pyridinyl)methyl]-2,3-dihydroindene-1-carboxylic acid.
What is the SMILES notation for 1-[(6-methyl-2-pyridinyl)methyl]-2,3-dihydroindene-1-carboxylic acid?
The canonical SMILES for 1-[(6-methyl-2-pyridinyl)methyl]-2,3-dihydroindene-1-carboxylic acid is Cc1cccc(CC2(C(=O)O)CCc3ccccc32)n1.
What is the InChIKey of 1-[(6-methyl-2-pyridinyl)methyl]-2,3-dihydroindene-1-carboxylic acid?
The InChIKey is IBQRRZSZHCWEJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c1-12-5-4-7-14(18-12)11-17(16(19)20)10-9-13-6-2-3-8-15(13)17/h2-8H,9-11H2,1H3,(H,19,20).
What are the key properties of 1-[(6-methyl-2-pyridinyl)methyl]-2,3-dihydroindene-1-carboxylic acid?
1-[(6-methyl-2-pyridinyl)methyl]-2,3-dihydroindene-1-carboxylic acid has a molecular weight of 267.33 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-methyl-2-pyridinyl)methyl]-2,3-dihydroindene-1-carboxylic acid is sourced from PubChem (CID 79429267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).