2-chloro-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile

C11H11ClN2O — CID 817267

IUPAC2-chloro-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile
SMILESCC1(C)Cc2nc(Cl)c(C#N)cc2CO1
InChIInChI=1S/C11H11ClN2O/c1-11(2)4-9-8(6-15-11)3-7(5-13)10(12)14-9/h3H,4,6H2,1-2H3
InChIKeyKBRLGRJHWGRBJC-UHFFFAOYSA-N
MW222.67 g/mol
LogP2.46
Rot. Bonds

About 2-chloro-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile

2-chloro-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile (PubChem CID 817267) has the molecular formula C11H11ClN2O and a molecular weight of 222.67 g/mol. Its IUPAC name is 2-chloro-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-chloro-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile
PubChem CID817267
Molecular FormulaC11H11ClN2O
Molecular Weight222.67 g/mol
Exact Mass222.06
IUPAC Name2-chloro-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile
SMILESCC1(C)Cc2nc(Cl)c(C#N)cc2CO1
InChIInChI=1S/C11H11ClN2O/c1-11(2)4-9-8(6-15-11)3-7(5-13)10(12)14-9/h3H,4,6H2,1-2H3
InChIKeyKBRLGRJHWGRBJC-UHFFFAOYSA-N
XLogP2.46
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.67
LogP ≤ 52.46
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-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile?
The IUPAC name of 2-chloro-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile (CID 817267) is 2-chloro-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile.
What is the SMILES notation for 2-chloro-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile?
The canonical SMILES for 2-chloro-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile is CC1(C)Cc2nc(Cl)c(C#N)cc2CO1.
What is the InChIKey of 2-chloro-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile?
The InChIKey is KBRLGRJHWGRBJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O/c1-11(2)4-9-8(6-15-11)3-7(5-13)10(12)14-9/h3H,4,6H2,1-2H3.
What are the key properties of 2-chloro-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile?
2-chloro-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile has a molecular weight of 222.67 g/mol, XLogP of 2.46, 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-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile is sourced from PubChem (CID 817267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).