2-chloro-7,7-dimethyl-5H-furo[3,4-b]pyridine-3-carbonitrile

C10H9ClN2O — CID 130773165

IUPAC2-chloro-7,7-dimethyl-5H-furo[3,4-b]pyridine-3-carbonitrile
SMILESCC1(C)OCc2cc(C#N)c(Cl)nc21
InChIInChI=1S/C10H9ClN2O/c1-10(2)8-7(5-14-10)3-6(4-12)9(11)13-8/h3H,5H2,1-2H3
InChIKeyQSPACLUVDBOXSR-UHFFFAOYSA-N
MW208.65 g/mol
LogP2.37
Rot. Bonds

About 2-chloro-7,7-dimethyl-5H-furo[3,4-b]pyridine-3-carbonitrile

2-chloro-7,7-dimethyl-5H-furo[3,4-b]pyridine-3-carbonitrile (PubChem CID 130773165) has the molecular formula C10H9ClN2O and a molecular weight of 208.65 g/mol. Its IUPAC name is 2-chloro-7,7-dimethyl-5H-furo[3,4-b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-chloro-7,7-dimethyl-5H-furo[3,4-b]pyridine-3-carbonitrile
PubChem CID130773165
Molecular FormulaC10H9ClN2O
Molecular Weight208.65 g/mol
Exact Mass208.04
IUPAC Name2-chloro-7,7-dimethyl-5H-furo[3,4-b]pyridine-3-carbonitrile
SMILESCC1(C)OCc2cc(C#N)c(Cl)nc21
InChIInChI=1S/C10H9ClN2O/c1-10(2)8-7(5-14-10)3-6(4-12)9(11)13-8/h3H,5H2,1-2H3
InChIKeyQSPACLUVDBOXSR-UHFFFAOYSA-N
XLogP2.37
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.65
LogP ≤ 52.37
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-7,7-dimethyl-5H-furo[3,4-b]pyridine-3-carbonitrile?
The IUPAC name of 2-chloro-7,7-dimethyl-5H-furo[3,4-b]pyridine-3-carbonitrile (CID 130773165) is 2-chloro-7,7-dimethyl-5H-furo[3,4-b]pyridine-3-carbonitrile.
What is the SMILES notation for 2-chloro-7,7-dimethyl-5H-furo[3,4-b]pyridine-3-carbonitrile?
The canonical SMILES for 2-chloro-7,7-dimethyl-5H-furo[3,4-b]pyridine-3-carbonitrile is CC1(C)OCc2cc(C#N)c(Cl)nc21.
What is the InChIKey of 2-chloro-7,7-dimethyl-5H-furo[3,4-b]pyridine-3-carbonitrile?
The InChIKey is QSPACLUVDBOXSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O/c1-10(2)8-7(5-14-10)3-6(4-12)9(11)13-8/h3H,5H2,1-2H3.
What are the key properties of 2-chloro-7,7-dimethyl-5H-furo[3,4-b]pyridine-3-carbonitrile?
2-chloro-7,7-dimethyl-5H-furo[3,4-b]pyridine-3-carbonitrile has a molecular weight of 208.65 g/mol, XLogP of 2.37, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-7,7-dimethyl-5H-furo[3,4-b]pyridine-3-carbonitrile is sourced from PubChem (CID 130773165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).