2-butan-2-yloxy-6-chloropyridine-4-carbonitrile

C10H11ClN2O — CID 83072749

IUPAC2-butan-2-yloxy-6-chloropyridine-4-carbonitrile
SMILESCCC(C)Oc1cc(C#N)cc(Cl)n1
InChIInChI=1S/C10H11ClN2O/c1-3-7(2)14-10-5-8(6-12)4-9(11)13-10/h4-5,7H,3H2,1-2H3
InChIKeyWMPVQHWOHZHVOQ-UHFFFAOYSA-N
MW210.66 g/mol
LogP2.78
Rot. Bonds3

About 2-butan-2-yloxy-6-chloropyridine-4-carbonitrile

2-butan-2-yloxy-6-chloropyridine-4-carbonitrile (PubChem CID 83072749) has the molecular formula C10H11ClN2O and a molecular weight of 210.66 g/mol. Its IUPAC name is 2-butan-2-yloxy-6-chloropyridine-4-carbonitrile.

Molecular Properties

Compound Name2-butan-2-yloxy-6-chloropyridine-4-carbonitrile
PubChem CID83072749
Molecular FormulaC10H11ClN2O
Molecular Weight210.66 g/mol
Exact Mass210.06
IUPAC Name2-butan-2-yloxy-6-chloropyridine-4-carbonitrile
SMILESCCC(C)Oc1cc(C#N)cc(Cl)n1
InChIInChI=1S/C10H11ClN2O/c1-3-7(2)14-10-5-8(6-12)4-9(11)13-10/h4-5,7H,3H2,1-2H3
InChIKeyWMPVQHWOHZHVOQ-UHFFFAOYSA-N
XLogP2.78
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.66
LogP ≤ 52.78
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-butan-2-yloxy-6-chloropyridine-4-carbonitrile?
The IUPAC name of 2-butan-2-yloxy-6-chloropyridine-4-carbonitrile (CID 83072749) is 2-butan-2-yloxy-6-chloropyridine-4-carbonitrile.
What is the SMILES notation for 2-butan-2-yloxy-6-chloropyridine-4-carbonitrile?
The canonical SMILES for 2-butan-2-yloxy-6-chloropyridine-4-carbonitrile is CCC(C)Oc1cc(C#N)cc(Cl)n1.
What is the InChIKey of 2-butan-2-yloxy-6-chloropyridine-4-carbonitrile?
The InChIKey is WMPVQHWOHZHVOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O/c1-3-7(2)14-10-5-8(6-12)4-9(11)13-10/h4-5,7H,3H2,1-2H3.
What are the key properties of 2-butan-2-yloxy-6-chloropyridine-4-carbonitrile?
2-butan-2-yloxy-6-chloropyridine-4-carbonitrile has a molecular weight of 210.66 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yloxy-6-chloropyridine-4-carbonitrile is sourced from PubChem (CID 83072749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).