2,5-dihydro-1H-pyrano[4,3-b]pyridine

C8H9NO — CID 19418420

IUPAC2,5-dihydro-1H-pyrano[4,3-b]pyridine
SMILESC1=CC2=C(C=COC2)NC1
InChIInChI=1S/C8H9NO/c1-2-7-6-10-5-3-8(7)9-4-1/h1-3,5,9H,4,6H2
InChIKeyLDPSHKNDLXJANH-UHFFFAOYSA-N
MW135.17 g/mol
LogP0.94
Rot. Bonds

About 2,5-dihydro-1H-pyrano[4,3-b]pyridine

2,5-dihydro-1H-pyrano[4,3-b]pyridine (PubChem CID 19418420) has the molecular formula C8H9NO and a molecular weight of 135.17 g/mol. Its IUPAC name is 2,5-dihydro-1H-pyrano[4,3-b]pyridine.

Molecular Properties

Compound Name2,5-dihydro-1H-pyrano[4,3-b]pyridine
PubChem CID19418420
Molecular FormulaC8H9NO
Molecular Weight135.17 g/mol
Exact Mass135.07
IUPAC Name2,5-dihydro-1H-pyrano[4,3-b]pyridine
SMILESC1=CC2=C(C=COC2)NC1
InChIInChI=1S/C8H9NO/c1-2-7-6-10-5-3-8(7)9-4-1/h1-3,5,9H,4,6H2
InChIKeyLDPSHKNDLXJANH-UHFFFAOYSA-N
XLogP0.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.17
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 89651380
6,7-dihydro-1H-pyrano[3,4-c]pyridine
CID 90319457
1,2,3,5-Tetrahydrofuro[3,4-b]pyridine
CID 123572087
(3Z,6E,8Z)-7-(methoxymethyl)-3-methyl-10-methylidene-2,5-dihydro-1H-azecine
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CID 139609183

Frequently Asked Questions

What is the IUPAC name of 2,5-dihydro-1H-pyrano[4,3-b]pyridine?
The IUPAC name of 2,5-dihydro-1H-pyrano[4,3-b]pyridine (CID 19418420) is 2,5-dihydro-1H-pyrano[4,3-b]pyridine.
What is the SMILES notation for 2,5-dihydro-1H-pyrano[4,3-b]pyridine?
The canonical SMILES for 2,5-dihydro-1H-pyrano[4,3-b]pyridine is C1=CC2=C(C=COC2)NC1.
What is the InChIKey of 2,5-dihydro-1H-pyrano[4,3-b]pyridine?
The InChIKey is LDPSHKNDLXJANH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO/c1-2-7-6-10-5-3-8(7)9-4-1/h1-3,5,9H,4,6H2.
What are the key properties of 2,5-dihydro-1H-pyrano[4,3-b]pyridine?
2,5-dihydro-1H-pyrano[4,3-b]pyridine has a molecular weight of 135.17 g/mol, XLogP of 0.94, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dihydro-1H-pyrano[4,3-b]pyridine is sourced from PubChem (CID 19418420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).