2-chloro-6,8-dihydro-5H-pyrano[3,4-b]pyridine-3-carbonitrile

C9H7ClN2O — CID 82606014

IUPAC2-chloro-6,8-dihydro-5H-pyrano[3,4-b]pyridine-3-carbonitrile
SMILESN#Cc1cc2c(nc1Cl)COCC2
InChIInChI=1S/C9H7ClN2O/c10-9-7(4-11)3-6-1-2-13-5-8(6)12-9/h3H,1-2,5H2
InChIKeyQSPVYSJLJNJESN-UHFFFAOYSA-N
MW194.62 g/mol
LogP1.68
Rot. Bonds

About 2-chloro-6,8-dihydro-5H-pyrano[3,4-b]pyridine-3-carbonitrile

2-chloro-6,8-dihydro-5H-pyrano[3,4-b]pyridine-3-carbonitrile (PubChem CID 82606014) has the molecular formula C9H7ClN2O and a molecular weight of 194.62 g/mol. Its IUPAC name is 2-chloro-6,8-dihydro-5H-pyrano[3,4-b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-chloro-6,8-dihydro-5H-pyrano[3,4-b]pyridine-3-carbonitrile
PubChem CID82606014
Molecular FormulaC9H7ClN2O
Molecular Weight194.62 g/mol
Exact Mass194.02
IUPAC Name2-chloro-6,8-dihydro-5H-pyrano[3,4-b]pyridine-3-carbonitrile
SMILESN#Cc1cc2c(nc1Cl)COCC2
InChIInChI=1S/C9H7ClN2O/c10-9-7(4-11)3-6-1-2-13-5-8(6)12-9/h3H,1-2,5H2
InChIKeyQSPVYSJLJNJESN-UHFFFAOYSA-N
XLogP1.68
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.62
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6,8-dihydro-5H-pyrano[3,4-b]pyridine-3-carbonitrile?
The IUPAC name of 2-chloro-6,8-dihydro-5H-pyrano[3,4-b]pyridine-3-carbonitrile (CID 82606014) is 2-chloro-6,8-dihydro-5H-pyrano[3,4-b]pyridine-3-carbonitrile.
What is the SMILES notation for 2-chloro-6,8-dihydro-5H-pyrano[3,4-b]pyridine-3-carbonitrile?
The canonical SMILES for 2-chloro-6,8-dihydro-5H-pyrano[3,4-b]pyridine-3-carbonitrile is N#Cc1cc2c(nc1Cl)COCC2.
What is the InChIKey of 2-chloro-6,8-dihydro-5H-pyrano[3,4-b]pyridine-3-carbonitrile?
The InChIKey is QSPVYSJLJNJESN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2O/c10-9-7(4-11)3-6-1-2-13-5-8(6)12-9/h3H,1-2,5H2.
What are the key properties of 2-chloro-6,8-dihydro-5H-pyrano[3,4-b]pyridine-3-carbonitrile?
2-chloro-6,8-dihydro-5H-pyrano[3,4-b]pyridine-3-carbonitrile has a molecular weight of 194.62 g/mol, XLogP of 1.68, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6,8-dihydro-5H-pyrano[3,4-b]pyridine-3-carbonitrile is sourced from PubChem (CID 82606014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).