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

C9H8N2O — CID 141279155

IUPAC2,5-dihydro-1H-pyrano[4,3-b]pyridine-3-carbonitrile
SMILESN#CC1=CC2=C(C=COC2)NC1
InChIInChI=1S/C9H8N2O/c10-4-7-3-8-6-12-2-1-9(8)11-5-7/h1-3,11H,5-6H2
InChIKeyCWOZONFQVOOHFS-UHFFFAOYSA-N
MW160.18 g/mol
LogP0.84
Rot. Bonds

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

2,5-dihydro-1H-pyrano[4,3-b]pyridine-3-carbonitrile (PubChem CID 141279155) has the molecular formula C9H8N2O and a molecular weight of 160.18 g/mol. Its IUPAC name is 2,5-dihydro-1H-pyrano[4,3-b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2,5-dihydro-1H-pyrano[4,3-b]pyridine-3-carbonitrile
PubChem CID141279155
Molecular FormulaC9H8N2O
Molecular Weight160.18 g/mol
Exact Mass160.06
IUPAC Name2,5-dihydro-1H-pyrano[4,3-b]pyridine-3-carbonitrile
SMILESN#CC1=CC2=C(C=COC2)NC1
InChIInChI=1S/C9H8N2O/c10-4-7-3-8-6-12-2-1-9(8)11-5-7/h1-3,11H,5-6H2
InChIKeyCWOZONFQVOOHFS-UHFFFAOYSA-N
XLogP0.84
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.18
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Dihydro-5h-pyrano[4,3-b]pyridine
CID 19418420
2-Chloro-3-cyanodihydro-5h-pyrano[4,3-b]pyridine
CID 129790466
2-Methoxy-4,6-dimethyl-1,2-dihydropyridine-3-carbonitrile
CID 58836840
6,7-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
CID 69478887
2,5,7,8-tetrahydro-1H-pyrano[4,3-b]pyridine
CID 139609183
2,6-dihydro-1H-pyrano[3,4-b]pyridine
CID 172211651
(E)-3-(5-ethyl-2-methoxy-6-methyl-1,2-dihydropyridin-3-yl)prop-2-enenitrile
CID 10352876

Frequently Asked Questions

What is the IUPAC name of 2,5-dihydro-1H-pyrano[4,3-b]pyridine-3-carbonitrile?
The IUPAC name of 2,5-dihydro-1H-pyrano[4,3-b]pyridine-3-carbonitrile (CID 141279155) is 2,5-dihydro-1H-pyrano[4,3-b]pyridine-3-carbonitrile.
What is the SMILES notation for 2,5-dihydro-1H-pyrano[4,3-b]pyridine-3-carbonitrile?
The canonical SMILES for 2,5-dihydro-1H-pyrano[4,3-b]pyridine-3-carbonitrile is N#CC1=CC2=C(C=COC2)NC1.
What is the InChIKey of 2,5-dihydro-1H-pyrano[4,3-b]pyridine-3-carbonitrile?
The InChIKey is CWOZONFQVOOHFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O/c10-4-7-3-8-6-12-2-1-9(8)11-5-7/h1-3,11H,5-6H2.
What are the key properties of 2,5-dihydro-1H-pyrano[4,3-b]pyridine-3-carbonitrile?
2,5-dihydro-1H-pyrano[4,3-b]pyridine-3-carbonitrile has a molecular weight of 160.18 g/mol, XLogP of 0.84, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dihydro-1H-pyrano[4,3-b]pyridine-3-carbonitrile is sourced from PubChem (CID 141279155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).