2-(4-chloro-2-methylphenoxy)-4-(dimethylamino)pyridine-3-carbonitrile

C15H14ClN3O — CID 1475669

IUPAC2-(4-chloro-2-methylphenoxy)-4-(dimethylamino)pyridine-3-carbonitrile
SMILESCc1cc(Cl)ccc1Oc1nccc(N(C)C)c1C#N
InChIInChI=1S/C15H14ClN3O/c1-10-8-11(16)4-5-14(10)20-15-12(9-17)13(19(2)3)6-7-18-15/h4-8H,1-3H3
InChIKeyXEJVOVDZHOXUAT-UHFFFAOYSA-N
MW287.75 g/mol
LogP3.77
Rot. Bonds3

About 2-(4-chloro-2-methylphenoxy)-4-(dimethylamino)pyridine-3-carbonitrile

2-(4-chloro-2-methylphenoxy)-4-(dimethylamino)pyridine-3-carbonitrile (PubChem CID 1475669) has the molecular formula C15H14ClN3O and a molecular weight of 287.75 g/mol. Its IUPAC name is 2-(4-chloro-2-methylphenoxy)-4-(dimethylamino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(4-chloro-2-methylphenoxy)-4-(dimethylamino)pyridine-3-carbonitrile
PubChem CID1475669
Molecular FormulaC15H14ClN3O
Molecular Weight287.75 g/mol
Exact Mass287.08
IUPAC Name2-(4-chloro-2-methylphenoxy)-4-(dimethylamino)pyridine-3-carbonitrile
SMILESCc1cc(Cl)ccc1Oc1nccc(N(C)C)c1C#N
InChIInChI=1S/C15H14ClN3O/c1-10-8-11(16)4-5-14(10)20-15-12(9-17)13(19(2)3)6-7-18-15/h4-8H,1-3H3
InChIKeyXEJVOVDZHOXUAT-UHFFFAOYSA-N
XLogP3.77
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylphenoxy)-4-(dimethylamino)pyridine-3-carbonitrile?
The IUPAC name of 2-(4-chloro-2-methylphenoxy)-4-(dimethylamino)pyridine-3-carbonitrile (CID 1475669) is 2-(4-chloro-2-methylphenoxy)-4-(dimethylamino)pyridine-3-carbonitrile.
What is the SMILES notation for 2-(4-chloro-2-methylphenoxy)-4-(dimethylamino)pyridine-3-carbonitrile?
The canonical SMILES for 2-(4-chloro-2-methylphenoxy)-4-(dimethylamino)pyridine-3-carbonitrile is Cc1cc(Cl)ccc1Oc1nccc(N(C)C)c1C#N.
What is the InChIKey of 2-(4-chloro-2-methylphenoxy)-4-(dimethylamino)pyridine-3-carbonitrile?
The InChIKey is XEJVOVDZHOXUAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O/c1-10-8-11(16)4-5-14(10)20-15-12(9-17)13(19(2)3)6-7-18-15/h4-8H,1-3H3.
What are the key properties of 2-(4-chloro-2-methylphenoxy)-4-(dimethylamino)pyridine-3-carbonitrile?
2-(4-chloro-2-methylphenoxy)-4-(dimethylamino)pyridine-3-carbonitrile has a molecular weight of 287.75 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methylphenoxy)-4-(dimethylamino)pyridine-3-carbonitrile is sourced from PubChem (CID 1475669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).