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

C13H17NO3 — CID 96595684

IUPAC2-(2-methylpropyl)-6,8-dihydro-5H-pyrano[3,4-b]pyridine-4-carboxylic acid
SMILESCC(C)Cc1cc(C(=O)O)c2c(n1)COCC2
InChIInChI=1S/C13H17NO3/c1-8(2)5-9-6-11(13(15)16)10-3-4-17-7-12(10)14-9/h6,8H,3-5,7H2,1-2H3,(H,15,16)
InChIKeyGCBIABCMIUNAPJ-UHFFFAOYSA-N
MW235.28 g/mol
LogP2.05
Rot. Bonds3

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

2-(2-methylpropyl)-6,8-dihydro-5H-pyrano[3,4-b]pyridine-4-carboxylic acid (PubChem CID 96595684) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 2-(2-methylpropyl)-6,8-dihydro-5H-pyrano[3,4-b]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(2-methylpropyl)-6,8-dihydro-5H-pyrano[3,4-b]pyridine-4-carboxylic acid
PubChem CID96595684
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name2-(2-methylpropyl)-6,8-dihydro-5H-pyrano[3,4-b]pyridine-4-carboxylic acid
SMILESCC(C)Cc1cc(C(=O)O)c2c(n1)COCC2
InChIInChI=1S/C13H17NO3/c1-8(2)5-9-6-11(13(15)16)10-3-4-17-7-12(10)14-9/h6,8H,3-5,7H2,1-2H3,(H,15,16)
InChIKeyGCBIABCMIUNAPJ-UHFFFAOYSA-N
XLogP2.05
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-Hydroxy-4-(1-Hydroxyethyl)Quinoline-2-Carboxylic Acid
CID 5289243
2,4-Dimethyl 2,4-quinolinedicarboxylate
CID 604597
Isobutyl 2-phenylethyl 2,6-pyridinedicarboxylate
CID 91703257
Trimethyl pyridine-2,4,6-tricarboxylate
CID 12560765
Ethyl 2-methylquinoline-4-carboxylate
CID 1074072
Ethyl 6-phenylpyridine-2-carboxylate
CID 14899386
Butyl 2-methylquinoline-4-carboxylate
CID 15939476
5H,6H,8H-pyrano(3,4-b)pyridine-2-carboxylic acid hydrochloride
CID 165918103
Methyl 1-(trifluoromethyl)-5,6,7,8-tetrahydroisoquinoline-3-carboxylate
CID 135043364
Diheptan-3-yl 4-(hydroxymethyl)pyridine-2,6-dicarboxylate
CID 172440928
Dimethyl 6-phenylpyridine-2,4-dicarboxylate
CID 172011714
Methyl 5,6,7,8-tetrahydroquinoline-2-carboxylate
CID 10487956

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)-6,8-dihydro-5H-pyrano[3,4-b]pyridine-4-carboxylic acid?
The IUPAC name of 2-(2-methylpropyl)-6,8-dihydro-5H-pyrano[3,4-b]pyridine-4-carboxylic acid (CID 96595684) is 2-(2-methylpropyl)-6,8-dihydro-5H-pyrano[3,4-b]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-(2-methylpropyl)-6,8-dihydro-5H-pyrano[3,4-b]pyridine-4-carboxylic acid?
The canonical SMILES for 2-(2-methylpropyl)-6,8-dihydro-5H-pyrano[3,4-b]pyridine-4-carboxylic acid is CC(C)Cc1cc(C(=O)O)c2c(n1)COCC2.
What is the InChIKey of 2-(2-methylpropyl)-6,8-dihydro-5H-pyrano[3,4-b]pyridine-4-carboxylic acid?
The InChIKey is GCBIABCMIUNAPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-8(2)5-9-6-11(13(15)16)10-3-4-17-7-12(10)14-9/h6,8H,3-5,7H2,1-2H3,(H,15,16).
What are the key properties of 2-(2-methylpropyl)-6,8-dihydro-5H-pyrano[3,4-b]pyridine-4-carboxylic acid?
2-(2-methylpropyl)-6,8-dihydro-5H-pyrano[3,4-b]pyridine-4-carboxylic acid has a molecular weight of 235.28 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-6,8-dihydro-5H-pyrano[3,4-b]pyridine-4-carboxylic acid is sourced from PubChem (CID 96595684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).