2,5,7,8-tetrahydro-1H-pyrano[4,3-b]pyridine

C8H11NO — CID 139609183

IUPAC2,5,7,8-tetrahydro-1H-pyrano[4,3-b]pyridine
SMILESC1=CC2=C(CCOC2)NC1
InChIInChI=1S/C8H11NO/c1-2-7-6-10-5-3-8(7)9-4-1/h1-2,9H,3-6H2
InChIKeyODWCPTSMWZFMSW-UHFFFAOYSA-N
MW137.18 g/mol
LogP0.82
Rot. Bonds

About 2,5,7,8-tetrahydro-1H-pyrano[4,3-b]pyridine

2,5,7,8-tetrahydro-1H-pyrano[4,3-b]pyridine (PubChem CID 139609183) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is 2,5,7,8-tetrahydro-1H-pyrano[4,3-b]pyridine.

Molecular Properties

Compound Name2,5,7,8-tetrahydro-1H-pyrano[4,3-b]pyridine
PubChem CID139609183
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name2,5,7,8-tetrahydro-1H-pyrano[4,3-b]pyridine
SMILESC1=CC2=C(CCOC2)NC1
InChIInChI=1S/C8H11NO/c1-2-7-6-10-5-3-8(7)9-4-1/h1-2,9H,3-6H2
InChIKeyODWCPTSMWZFMSW-UHFFFAOYSA-N
XLogP0.82
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5,7,8-tetrahydro-1H-pyrano[4,3-b]pyridine?
The IUPAC name of 2,5,7,8-tetrahydro-1H-pyrano[4,3-b]pyridine (CID 139609183) is 2,5,7,8-tetrahydro-1H-pyrano[4,3-b]pyridine.
What is the SMILES notation for 2,5,7,8-tetrahydro-1H-pyrano[4,3-b]pyridine?
The canonical SMILES for 2,5,7,8-tetrahydro-1H-pyrano[4,3-b]pyridine is C1=CC2=C(CCOC2)NC1.
What is the InChIKey of 2,5,7,8-tetrahydro-1H-pyrano[4,3-b]pyridine?
The InChIKey is ODWCPTSMWZFMSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO/c1-2-7-6-10-5-3-8(7)9-4-1/h1-2,9H,3-6H2.
What are the key properties of 2,5,7,8-tetrahydro-1H-pyrano[4,3-b]pyridine?
2,5,7,8-tetrahydro-1H-pyrano[4,3-b]pyridine has a molecular weight of 137.18 g/mol, XLogP of 0.82, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,7,8-tetrahydro-1H-pyrano[4,3-b]pyridine is sourced from PubChem (CID 139609183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).