2-(4-chlorophenoxy)-4-(dimethylamino)pyridine-3-carbonitrile

C14H12ClN3O — CID 1488716

IUPAC2-(4-chlorophenoxy)-4-(dimethylamino)pyridine-3-carbonitrile
SMILESCN(C)c1ccnc(Oc2ccc(Cl)cc2)c1C#N
InChIInChI=1S/C14H12ClN3O/c1-18(2)13-7-8-17-14(12(13)9-16)19-11-5-3-10(15)4-6-11/h3-8H,1-2H3
InChIKeyDIKNWBKZSAJDIQ-UHFFFAOYSA-N
MW273.72 g/mol
LogP3.46
Rot. Bonds3

About 2-(4-chlorophenoxy)-4-(dimethylamino)pyridine-3-carbonitrile

2-(4-chlorophenoxy)-4-(dimethylamino)pyridine-3-carbonitrile (PubChem CID 1488716) has the molecular formula C14H12ClN3O and a molecular weight of 273.72 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-4-(dimethylamino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-4-(dimethylamino)pyridine-3-carbonitrile
PubChem CID1488716
Molecular FormulaC14H12ClN3O
Molecular Weight273.72 g/mol
Exact Mass273.07
IUPAC Name2-(4-chlorophenoxy)-4-(dimethylamino)pyridine-3-carbonitrile
SMILESCN(C)c1ccnc(Oc2ccc(Cl)cc2)c1C#N
InChIInChI=1S/C14H12ClN3O/c1-18(2)13-7-8-17-14(12(13)9-16)19-11-5-3-10(15)4-6-11/h3-8H,1-2H3
InChIKeyDIKNWBKZSAJDIQ-UHFFFAOYSA-N
XLogP3.46
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.72
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(4-chlorophenoxy)-4-(dimethylamino)pyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Phenoxynicotinonitrile
CID 84242
6-(4-Chloro-3-methylphenoxy)pyridin-3-amine
CID 2800162
2-Chloro-6-((2-methylpyridin-4-yl)methoxy)isonicotinonitrile
CID 44410045
4-Anilino-2-methoxynicotinonitrile
CID 657577
6-(4-Chloro-2-methylphenoxy)pyridin-3-amine
CID 2800143
2-[(6-Chloropyridin-3-yl)methoxy]-4,6-dimethylpyridine-3-carbonitrile
CID 1475141
2-(4-Chlorophenoxy)-4-methoxynicotinonitrile
CID 1470949
4-(Dimethylamino)-2-(4-fluorophenoxy)pyridine-3-carbonitrile
CID 1475660
2-(4-Tert-butylphenoxy)-4-(dimethylamino)pyridine-3-carbonitrile
CID 1475661
2-(4-Chloro-2-methylphenoxy)-4-(dimethylamino)nicotinonitrile
CID 1475669
1-[4-(4-chloro-2-methoxyphenoxy)-6-methyl-3-pyridinyl]-N,N-dimethylmethanamine
CID 25066443
1-[4-(4-chloro-2-methylphenoxy)-6-methyl-3-pyridinyl]-N,N-dimethylmethanamine
CID 44449236

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-4-(dimethylamino)pyridine-3-carbonitrile?
The IUPAC name of 2-(4-chlorophenoxy)-4-(dimethylamino)pyridine-3-carbonitrile (CID 1488716) is 2-(4-chlorophenoxy)-4-(dimethylamino)pyridine-3-carbonitrile.
What is the SMILES notation for 2-(4-chlorophenoxy)-4-(dimethylamino)pyridine-3-carbonitrile?
The canonical SMILES for 2-(4-chlorophenoxy)-4-(dimethylamino)pyridine-3-carbonitrile is CN(C)c1ccnc(Oc2ccc(Cl)cc2)c1C#N.
What is the InChIKey of 2-(4-chlorophenoxy)-4-(dimethylamino)pyridine-3-carbonitrile?
The InChIKey is DIKNWBKZSAJDIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O/c1-18(2)13-7-8-17-14(12(13)9-16)19-11-5-3-10(15)4-6-11/h3-8H,1-2H3.
What are the key properties of 2-(4-chlorophenoxy)-4-(dimethylamino)pyridine-3-carbonitrile?
2-(4-chlorophenoxy)-4-(dimethylamino)pyridine-3-carbonitrile has a molecular weight of 273.72 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-4-(dimethylamino)pyridine-3-carbonitrile is sourced from PubChem (CID 1488716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).