3-chloro-2-[2-(dimethylamino)-2-methylpropoxy]pyridine-4-carbonitrile

C12H16ClN3O — CID 107059108

IUPAC3-chloro-2-[2-(dimethylamino)-2-methylpropoxy]pyridine-4-carbonitrile
SMILESCN(C)C(C)(C)COc1nccc(C#N)c1Cl
InChIInChI=1S/C12H16ClN3O/c1-12(2,16(3)4)8-17-11-10(13)9(7-14)5-6-15-11/h5-6H,8H2,1-4H3
InChIKeyWYXDYZAOUKHNHH-UHFFFAOYSA-N
MW253.73 g/mol
LogP2.33
Rot. Bonds4

About 3-chloro-2-[2-(dimethylamino)-2-methylpropoxy]pyridine-4-carbonitrile

3-chloro-2-[2-(dimethylamino)-2-methylpropoxy]pyridine-4-carbonitrile (PubChem CID 107059108) has the molecular formula C12H16ClN3O and a molecular weight of 253.73 g/mol. Its IUPAC name is 3-chloro-2-[2-(dimethylamino)-2-methylpropoxy]pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-chloro-2-[2-(dimethylamino)-2-methylpropoxy]pyridine-4-carbonitrile
PubChem CID107059108
Molecular FormulaC12H16ClN3O
Molecular Weight253.73 g/mol
Exact Mass253.10
IUPAC Name3-chloro-2-[2-(dimethylamino)-2-methylpropoxy]pyridine-4-carbonitrile
SMILESCN(C)C(C)(C)COc1nccc(C#N)c1Cl
InChIInChI=1S/C12H16ClN3O/c1-12(2,16(3)4)8-17-11-10(13)9(7-14)5-6-15-11/h5-6H,8H2,1-4H3
InChIKeyWYXDYZAOUKHNHH-UHFFFAOYSA-N
XLogP2.33
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-amino-2-methylbutoxy)-3-chloropyridine-4-carbonitrile
CID 107061678
3-chloro-2-(2-methylbutan-2-yloxy)pyridine-4-carbonitrile
CID 107058917
3-chloro-2-(3-methoxy-3-methylbutoxy)pyridine-4-carbonitrile
CID 107059221
3-chloro-2-(2-methoxyethoxy)pyridine-4-carbonitrile
CID 107058776
3-chloro-2-(2-hydroxyethoxy)pyridine-4-carbonitrile
CID 107058885
3-[2-(dimethylamino)-2-methylpropoxy]pyridine-4-carbonitrile
CID 114287980
3-chloro-2-[2-[di(propan-2-yl)amino]ethoxy]pyridine-4-carbonitrile
CID 107059128
2-(3-aminopropoxy)-3-chloropyridine-4-carbonitrile
CID 107061653
3-chloro-2-(4-methylpentan-2-yloxy)pyridine-4-carbonitrile
CID 107058766
2-[2-(dimethylamino)-2-methylpropoxy]benzonitrile
CID 79680313
2-(2-tert-butyl-5-methylphenoxy)-3-chloropyridine-4-carbonitrile
CID 107058931
3-chloro-2-(piperidin-4-ylmethoxy)pyridine-4-carbonitrile
CID 107061650

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[2-(dimethylamino)-2-methylpropoxy]pyridine-4-carbonitrile?
The IUPAC name of 3-chloro-2-[2-(dimethylamino)-2-methylpropoxy]pyridine-4-carbonitrile (CID 107059108) is 3-chloro-2-[2-(dimethylamino)-2-methylpropoxy]pyridine-4-carbonitrile.
What is the SMILES notation for 3-chloro-2-[2-(dimethylamino)-2-methylpropoxy]pyridine-4-carbonitrile?
The canonical SMILES for 3-chloro-2-[2-(dimethylamino)-2-methylpropoxy]pyridine-4-carbonitrile is CN(C)C(C)(C)COc1nccc(C#N)c1Cl.
What is the InChIKey of 3-chloro-2-[2-(dimethylamino)-2-methylpropoxy]pyridine-4-carbonitrile?
The InChIKey is WYXDYZAOUKHNHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O/c1-12(2,16(3)4)8-17-11-10(13)9(7-14)5-6-15-11/h5-6H,8H2,1-4H3.
What are the key properties of 3-chloro-2-[2-(dimethylamino)-2-methylpropoxy]pyridine-4-carbonitrile?
3-chloro-2-[2-(dimethylamino)-2-methylpropoxy]pyridine-4-carbonitrile has a molecular weight of 253.73 g/mol, XLogP of 2.33, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[2-(dimethylamino)-2-methylpropoxy]pyridine-4-carbonitrile is sourced from PubChem (CID 107059108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).