2-chloro-6-(2-methylpropoxy)pyridine-4-carbonitrile

C10H11ClN2O — CID 83073776

IUPAC2-chloro-6-(2-methylpropoxy)pyridine-4-carbonitrile
SMILESCC(C)COc1cc(C#N)cc(Cl)n1
InChIInChI=1S/C10H11ClN2O/c1-7(2)6-14-10-4-8(5-12)3-9(11)13-10/h3-4,7H,6H2,1-2H3
InChIKeyMIWVHDUOLARRSJ-UHFFFAOYSA-N
MW210.66 g/mol
LogP2.64
Rot. Bonds3

About 2-chloro-6-(2-methylpropoxy)pyridine-4-carbonitrile

2-chloro-6-(2-methylpropoxy)pyridine-4-carbonitrile (PubChem CID 83073776) has the molecular formula C10H11ClN2O and a molecular weight of 210.66 g/mol. Its IUPAC name is 2-chloro-6-(2-methylpropoxy)pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-chloro-6-(2-methylpropoxy)pyridine-4-carbonitrile
PubChem CID83073776
Molecular FormulaC10H11ClN2O
Molecular Weight210.66 g/mol
Exact Mass210.06
IUPAC Name2-chloro-6-(2-methylpropoxy)pyridine-4-carbonitrile
SMILESCC(C)COc1cc(C#N)cc(Cl)n1
InChIInChI=1S/C10H11ClN2O/c1-7(2)6-14-10-4-8(5-12)3-9(11)13-10/h3-4,7H,6H2,1-2H3
InChIKeyMIWVHDUOLARRSJ-UHFFFAOYSA-N
XLogP2.64
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 ≤ 52.64
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-6-(2-methylpropoxy)pyridine-4-carbonitrile?
The IUPAC name of 2-chloro-6-(2-methylpropoxy)pyridine-4-carbonitrile (CID 83073776) is 2-chloro-6-(2-methylpropoxy)pyridine-4-carbonitrile.
What is the SMILES notation for 2-chloro-6-(2-methylpropoxy)pyridine-4-carbonitrile?
The canonical SMILES for 2-chloro-6-(2-methylpropoxy)pyridine-4-carbonitrile is CC(C)COc1cc(C#N)cc(Cl)n1.
What is the InChIKey of 2-chloro-6-(2-methylpropoxy)pyridine-4-carbonitrile?
The InChIKey is MIWVHDUOLARRSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O/c1-7(2)6-14-10-4-8(5-12)3-9(11)13-10/h3-4,7H,6H2,1-2H3.
What are the key properties of 2-chloro-6-(2-methylpropoxy)pyridine-4-carbonitrile?
2-chloro-6-(2-methylpropoxy)pyridine-4-carbonitrile has a molecular weight of 210.66 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(2-methylpropoxy)pyridine-4-carbonitrile is sourced from PubChem (CID 83073776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).