2,5,5,7-tetramethyl-6,7-dihydrocyclopenta[b]pyridine-3-carboxylic acid

C13H17NO2 — CID 106664036

IUPAC2,5,5,7-tetramethyl-6,7-dihydrocyclopenta[b]pyridine-3-carboxylic acid
SMILESCc1nc2c(cc1C(=O)O)C(C)(C)CC2C
InChIInChI=1S/C13H17NO2/c1-7-6-13(3,4)10-5-9(12(15)16)8(2)14-11(7)10/h5,7H,6H2,1-4H3,(H,15,16)
InChIKeyHTQLGJVIKDFHEV-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.87
Rot. Bonds1

About 2,5,5,7-tetramethyl-6,7-dihydrocyclopenta[b]pyridine-3-carboxylic acid

2,5,5,7-tetramethyl-6,7-dihydrocyclopenta[b]pyridine-3-carboxylic acid (PubChem CID 106664036) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 2,5,5,7-tetramethyl-6,7-dihydrocyclopenta[b]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2,5,5,7-tetramethyl-6,7-dihydrocyclopenta[b]pyridine-3-carboxylic acid
PubChem CID106664036
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name2,5,5,7-tetramethyl-6,7-dihydrocyclopenta[b]pyridine-3-carboxylic acid
SMILESCc1nc2c(cc1C(=O)O)C(C)(C)CC2C
InChIInChI=1S/C13H17NO2/c1-7-6-13(3,4)10-5-9(12(15)16)8(2)14-11(7)10/h5,7H,6H2,1-4H3,(H,15,16)
InChIKeyHTQLGJVIKDFHEV-UHFFFAOYSA-N
XLogP2.87
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5,5,7-tetramethyl-6,7-dihydrocyclopenta[b]pyridine-3-carboxylic acid?
The IUPAC name of 2,5,5,7-tetramethyl-6,7-dihydrocyclopenta[b]pyridine-3-carboxylic acid (CID 106664036) is 2,5,5,7-tetramethyl-6,7-dihydrocyclopenta[b]pyridine-3-carboxylic acid.
What is the SMILES notation for 2,5,5,7-tetramethyl-6,7-dihydrocyclopenta[b]pyridine-3-carboxylic acid?
The canonical SMILES for 2,5,5,7-tetramethyl-6,7-dihydrocyclopenta[b]pyridine-3-carboxylic acid is Cc1nc2c(cc1C(=O)O)C(C)(C)CC2C.
What is the InChIKey of 2,5,5,7-tetramethyl-6,7-dihydrocyclopenta[b]pyridine-3-carboxylic acid?
The InChIKey is HTQLGJVIKDFHEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-7-6-13(3,4)10-5-9(12(15)16)8(2)14-11(7)10/h5,7H,6H2,1-4H3,(H,15,16).
What are the key properties of 2,5,5,7-tetramethyl-6,7-dihydrocyclopenta[b]pyridine-3-carboxylic acid?
2,5,5,7-tetramethyl-6,7-dihydrocyclopenta[b]pyridine-3-carboxylic acid has a molecular weight of 219.28 g/mol, XLogP of 2.87, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,5,7-tetramethyl-6,7-dihydrocyclopenta[b]pyridine-3-carboxylic acid is sourced from PubChem (CID 106664036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).