2-cyclopentyl-6,8-dihydro-5H-pyrano[3,4-b]pyridine-4-carboxylic acid

C14H17NO3 — CID 82383955

IUPAC2-cyclopentyl-6,8-dihydro-5H-pyrano[3,4-b]pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(C2CCCC2)nc2c1CCOC2
InChIInChI=1S/C14H17NO3/c16-14(17)11-7-12(9-3-1-2-4-9)15-13-8-18-6-5-10(11)13/h7,9H,1-6,8H2,(H,16,17)
InChIKeyWDOVAKYLGYEJIN-UHFFFAOYSA-N
MW247.29 g/mol
LogP2.51
Rot. Bonds2

About 2-cyclopentyl-6,8-dihydro-5H-pyrano[3,4-b]pyridine-4-carboxylic acid

2-cyclopentyl-6,8-dihydro-5H-pyrano[3,4-b]pyridine-4-carboxylic acid (PubChem CID 82383955) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 2-cyclopentyl-6,8-dihydro-5H-pyrano[3,4-b]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-cyclopentyl-6,8-dihydro-5H-pyrano[3,4-b]pyridine-4-carboxylic acid
PubChem CID82383955
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name2-cyclopentyl-6,8-dihydro-5H-pyrano[3,4-b]pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(C2CCCC2)nc2c1CCOC2
InChIInChI=1S/C14H17NO3/c16-14(17)11-7-12(9-3-1-2-4-9)15-13-8-18-6-5-10(11)13/h7,9H,1-6,8H2,(H,16,17)
InChIKeyWDOVAKYLGYEJIN-UHFFFAOYSA-N
XLogP2.51
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopentyl-5,6,7,8-tetrahydro-1,7-naphthyridine-4-carboxylic acid
CID 82384369
2-(2-methylpropyl)-6,8-dihydro-5H-pyrano[3,4-b]pyridine-4-carboxylic acid
CID 96595684
3-amino-2-cyclopentyl-6,8-dihydro-5H-pyrano[3,4-b]pyridine-4-carboxylic acid
CID 82624156
6,8-dihydro-5H-pyrano[3,4-b]pyridine-4-carboxylic acid
CID 84718083
2-pyrrolidin-1-yl-5,6,8,9-tetrahydrooxepino[4,5-b]pyridine-4-carboxylic acid
CID 126620481
7-bromo-2-cyclohexylquinoline-4-carboxylic acid
CID 43805508
2-cyclohexyl-8-fluoroquinoline-4-carboxylic acid
CID 3872421
2-(2-methylpropyl)-5,7-dihydrofuro[3,4-b]pyridine-4-carboxylic acid
CID 96607376
2-ethyl-5,6,7,8-tetrahydroquinoline-4-carboxylic acid
CID 82396272
2-cyclopentyl-8-ethylquinoline-4-carboxylic acid
CID 4985765
6-cyclohexyl-2-methylpyrimidine-4-carboxylic acid
CID 83822396
7-fluoro-2-(oxolan-3-yl)quinoline-4-carboxylic acid
CID 113483500

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-6,8-dihydro-5H-pyrano[3,4-b]pyridine-4-carboxylic acid?
The IUPAC name of 2-cyclopentyl-6,8-dihydro-5H-pyrano[3,4-b]pyridine-4-carboxylic acid (CID 82383955) is 2-cyclopentyl-6,8-dihydro-5H-pyrano[3,4-b]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-cyclopentyl-6,8-dihydro-5H-pyrano[3,4-b]pyridine-4-carboxylic acid?
The canonical SMILES for 2-cyclopentyl-6,8-dihydro-5H-pyrano[3,4-b]pyridine-4-carboxylic acid is O=C(O)c1cc(C2CCCC2)nc2c1CCOC2.
What is the InChIKey of 2-cyclopentyl-6,8-dihydro-5H-pyrano[3,4-b]pyridine-4-carboxylic acid?
The InChIKey is WDOVAKYLGYEJIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c16-14(17)11-7-12(9-3-1-2-4-9)15-13-8-18-6-5-10(11)13/h7,9H,1-6,8H2,(H,16,17).
What are the key properties of 2-cyclopentyl-6,8-dihydro-5H-pyrano[3,4-b]pyridine-4-carboxylic acid?
2-cyclopentyl-6,8-dihydro-5H-pyrano[3,4-b]pyridine-4-carboxylic acid has a molecular weight of 247.29 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-6,8-dihydro-5H-pyrano[3,4-b]pyridine-4-carboxylic acid is sourced from PubChem (CID 82383955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).