2-cyclopropyl-5,7-dimethyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carboxylic acid

C14H17NO3 — CID 116533702

IUPAC2-cyclopropyl-5,7-dimethyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carboxylic acid
SMILESCC1Cc2nc(C3CC3)c(C(=O)O)cc2C(C)O1
InChIInChI=1S/C14H17NO3/c1-7-5-12-10(8(2)18-7)6-11(14(16)17)13(15-12)9-3-4-9/h6-9H,3-5H2,1-2H3,(H,16,17)
InChIKeySELYTYYOUSWLPL-UHFFFAOYSA-N
MW247.29 g/mol
LogP2.68
Rot. Bonds2

About 2-cyclopropyl-5,7-dimethyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carboxylic acid

2-cyclopropyl-5,7-dimethyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carboxylic acid (PubChem CID 116533702) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 2-cyclopropyl-5,7-dimethyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-cyclopropyl-5,7-dimethyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carboxylic acid
PubChem CID116533702
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name2-cyclopropyl-5,7-dimethyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carboxylic acid
SMILESCC1Cc2nc(C3CC3)c(C(=O)O)cc2C(C)O1
InChIInChI=1S/C14H17NO3/c1-7-5-12-10(8(2)18-7)6-11(14(16)17)13(15-12)9-3-4-9/h6-9H,3-5H2,1-2H3,(H,16,17)
InChIKeySELYTYYOUSWLPL-UHFFFAOYSA-N
XLogP2.68
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 ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5,7-dimethyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carboxylic acid?
The IUPAC name of 2-cyclopropyl-5,7-dimethyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carboxylic acid (CID 116533702) is 2-cyclopropyl-5,7-dimethyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-cyclopropyl-5,7-dimethyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carboxylic acid?
The canonical SMILES for 2-cyclopropyl-5,7-dimethyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carboxylic acid is CC1Cc2nc(C3CC3)c(C(=O)O)cc2C(C)O1.
What is the InChIKey of 2-cyclopropyl-5,7-dimethyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carboxylic acid?
The InChIKey is SELYTYYOUSWLPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-7-5-12-10(8(2)18-7)6-11(14(16)17)13(15-12)9-3-4-9/h6-9H,3-5H2,1-2H3,(H,16,17).
What are the key properties of 2-cyclopropyl-5,7-dimethyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carboxylic acid?
2-cyclopropyl-5,7-dimethyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carboxylic acid has a molecular weight of 247.29 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5,7-dimethyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carboxylic acid is sourced from PubChem (CID 116533702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).