3-chloro-2-(2-methylbutan-2-yloxy)pyridine-4-carbonitrile

C11H13ClN2O — CID 107058917

IUPAC3-chloro-2-(2-methylbutan-2-yloxy)pyridine-4-carbonitrile
SMILESCCC(C)(C)Oc1nccc(C#N)c1Cl
InChIInChI=1S/C11H13ClN2O/c1-4-11(2,3)15-10-9(12)8(7-13)5-6-14-10/h5-6H,4H2,1-3H3
InChIKeyHJZVAMVOVHULAK-UHFFFAOYSA-N
MW224.69 g/mol
LogP3.17
Rot. Bonds3

About 3-chloro-2-(2-methylbutan-2-yloxy)pyridine-4-carbonitrile

3-chloro-2-(2-methylbutan-2-yloxy)pyridine-4-carbonitrile (PubChem CID 107058917) has the molecular formula C11H13ClN2O and a molecular weight of 224.69 g/mol. Its IUPAC name is 3-chloro-2-(2-methylbutan-2-yloxy)pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-chloro-2-(2-methylbutan-2-yloxy)pyridine-4-carbonitrile
PubChem CID107058917
Molecular FormulaC11H13ClN2O
Molecular Weight224.69 g/mol
Exact Mass224.07
IUPAC Name3-chloro-2-(2-methylbutan-2-yloxy)pyridine-4-carbonitrile
SMILESCCC(C)(C)Oc1nccc(C#N)c1Cl
InChIInChI=1S/C11H13ClN2O/c1-4-11(2,3)15-10-9(12)8(7-13)5-6-14-10/h5-6H,4H2,1-3H3
InChIKeyHJZVAMVOVHULAK-UHFFFAOYSA-N
XLogP3.17
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-amino-2-methylbutoxy)-3-chloropyridine-4-carbonitrile
CID 107061678
3-chloro-2-(3-methoxy-3-methylbutoxy)pyridine-4-carbonitrile
CID 107059221
3-chloro-2-[2-(dimethylamino)-2-methylpropoxy]pyridine-4-carbonitrile
CID 107059108
3-chloro-2-(2-methoxyethoxy)pyridine-4-carbonitrile
CID 107058776
3-chloro-2-(2-hydroxyethoxy)pyridine-4-carbonitrile
CID 107058885
2-(3-aminopropoxy)-3-chloropyridine-4-carbonitrile
CID 107061653
3-chloro-2-(4-methylpentan-2-yloxy)pyridine-4-carbonitrile
CID 107058766
3-chloro-2-(2-propoxyphenoxy)pyridine-4-carbonitrile
CID 107058762
2-(2-tert-butyl-5-methylphenoxy)-3-chloropyridine-4-carbonitrile
CID 107058931
3-chloro-2-[2-[di(propan-2-yl)amino]ethoxy]pyridine-4-carbonitrile
CID 107059128
3-chloro-2-(3,5-dimethoxyphenoxy)pyridine-4-carbonitrile
CID 107058963
2-(2-butan-2-ylphenoxy)-3-chloropyridine-4-carbonitrile
CID 107058864

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(2-methylbutan-2-yloxy)pyridine-4-carbonitrile?
The IUPAC name of 3-chloro-2-(2-methylbutan-2-yloxy)pyridine-4-carbonitrile (CID 107058917) is 3-chloro-2-(2-methylbutan-2-yloxy)pyridine-4-carbonitrile.
What is the SMILES notation for 3-chloro-2-(2-methylbutan-2-yloxy)pyridine-4-carbonitrile?
The canonical SMILES for 3-chloro-2-(2-methylbutan-2-yloxy)pyridine-4-carbonitrile is CCC(C)(C)Oc1nccc(C#N)c1Cl.
What is the InChIKey of 3-chloro-2-(2-methylbutan-2-yloxy)pyridine-4-carbonitrile?
The InChIKey is HJZVAMVOVHULAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O/c1-4-11(2,3)15-10-9(12)8(7-13)5-6-14-10/h5-6H,4H2,1-3H3.
What are the key properties of 3-chloro-2-(2-methylbutan-2-yloxy)pyridine-4-carbonitrile?
3-chloro-2-(2-methylbutan-2-yloxy)pyridine-4-carbonitrile has a molecular weight of 224.69 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(2-methylbutan-2-yloxy)pyridine-4-carbonitrile is sourced from PubChem (CID 107058917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).