2-chloro-5,7-dihydrofuro[3,4-b]pyridine-3-carbonitrile

C8H5ClN2O — CID 82600794

IUPAC2-chloro-5,7-dihydrofuro[3,4-b]pyridine-3-carbonitrile
SMILESN#Cc1cc2c(nc1Cl)COC2
InChIInChI=1S/C8H5ClN2O/c9-8-5(2-10)1-6-3-12-4-7(6)11-8/h1H,3-4H2
InChIKeyRYHUVKYOLCRBBA-UHFFFAOYSA-N
MW180.59 g/mol
LogP1.64
Rot. Bonds

About 2-chloro-5,7-dihydrofuro[3,4-b]pyridine-3-carbonitrile

2-chloro-5,7-dihydrofuro[3,4-b]pyridine-3-carbonitrile (PubChem CID 82600794) has the molecular formula C8H5ClN2O and a molecular weight of 180.59 g/mol. Its IUPAC name is 2-chloro-5,7-dihydrofuro[3,4-b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-chloro-5,7-dihydrofuro[3,4-b]pyridine-3-carbonitrile
PubChem CID82600794
Molecular FormulaC8H5ClN2O
Molecular Weight180.59 g/mol
Exact Mass180.01
IUPAC Name2-chloro-5,7-dihydrofuro[3,4-b]pyridine-3-carbonitrile
SMILESN#Cc1cc2c(nc1Cl)COC2
InChIInChI=1S/C8H5ClN2O/c9-8-5(2-10)1-6-3-12-4-7(6)11-8/h1H,3-4H2
InChIKeyRYHUVKYOLCRBBA-UHFFFAOYSA-N
XLogP1.64
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.59
LogP ≤ 51.64
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-5,7-dihydrofuro[3,4-b]pyridine-3-carbonitrile?
The IUPAC name of 2-chloro-5,7-dihydrofuro[3,4-b]pyridine-3-carbonitrile (CID 82600794) is 2-chloro-5,7-dihydrofuro[3,4-b]pyridine-3-carbonitrile.
What is the SMILES notation for 2-chloro-5,7-dihydrofuro[3,4-b]pyridine-3-carbonitrile?
The canonical SMILES for 2-chloro-5,7-dihydrofuro[3,4-b]pyridine-3-carbonitrile is N#Cc1cc2c(nc1Cl)COC2.
What is the InChIKey of 2-chloro-5,7-dihydrofuro[3,4-b]pyridine-3-carbonitrile?
The InChIKey is RYHUVKYOLCRBBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClN2O/c9-8-5(2-10)1-6-3-12-4-7(6)11-8/h1H,3-4H2.
What are the key properties of 2-chloro-5,7-dihydrofuro[3,4-b]pyridine-3-carbonitrile?
2-chloro-5,7-dihydrofuro[3,4-b]pyridine-3-carbonitrile has a molecular weight of 180.59 g/mol, XLogP of 1.64, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5,7-dihydrofuro[3,4-b]pyridine-3-carbonitrile is sourced from PubChem (CID 82600794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).