2-(4-amino-2-prop-2-enylphenoxy)-3-chloropyridine-4-carbonitrile

C15H12ClN3O — CID 107061102

IUPAC2-(4-amino-2-prop-2-enylphenoxy)-3-chloropyridine-4-carbonitrile
SMILESC=CCc1cc(N)ccc1Oc1nccc(C#N)c1Cl
InChIInChI=1S/C15H12ClN3O/c1-2-3-10-8-12(18)4-5-13(10)20-15-14(16)11(9-17)6-7-19-15/h2,4-8H,1,3,18H2
InChIKeyRJPUVZYPYGQOSE-UHFFFAOYSA-N
MW285.73 g/mol
LogP3.71
Rot. Bonds4

About 2-(4-amino-2-prop-2-enylphenoxy)-3-chloropyridine-4-carbonitrile

2-(4-amino-2-prop-2-enylphenoxy)-3-chloropyridine-4-carbonitrile (PubChem CID 107061102) has the molecular formula C15H12ClN3O and a molecular weight of 285.73 g/mol. Its IUPAC name is 2-(4-amino-2-prop-2-enylphenoxy)-3-chloropyridine-4-carbonitrile.

Molecular Properties

Compound Name2-(4-amino-2-prop-2-enylphenoxy)-3-chloropyridine-4-carbonitrile
PubChem CID107061102
Molecular FormulaC15H12ClN3O
Molecular Weight285.73 g/mol
Exact Mass285.07
IUPAC Name2-(4-amino-2-prop-2-enylphenoxy)-3-chloropyridine-4-carbonitrile
SMILESC=CCc1cc(N)ccc1Oc1nccc(C#N)c1Cl
InChIInChI=1S/C15H12ClN3O/c1-2-3-10-8-12(18)4-5-13(10)20-15-14(16)11(9-17)6-7-19-15/h2,4-8H,1,3,18H2
InChIKeyRJPUVZYPYGQOSE-UHFFFAOYSA-N
XLogP3.71
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-(4-amino-2-prop-2-enylphenoxy)-3-chloropyridine-4-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

3-chloro-2-(2,4-dichlorophenoxy)pyridine-4-carbonitrile
CID 107058848
2-(2-aminophenoxy)-3-chloropyridine-4-carbonitrile
CID 107061078
2-[2-amino-5-(dimethylamino)phenoxy]-3-chloropyridine-4-carbonitrile
CID 107061103
4-[(3-chloro-4-cyano-2-pyridinyl)oxy]-3-methylbenzoic acid
CID 107672883
3-chloro-2-(2-chloro-5-methylphenoxy)pyridine-4-carbonitrile
CID 107058950
3-chloro-2-(3,5-dimethoxyphenoxy)pyridine-4-carbonitrile
CID 107058963
3-chloro-2-(2-propoxyphenoxy)pyridine-4-carbonitrile
CID 107058762
4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)oxy-3-prop-2-enylaniline
CID 104732214
3-chloro-2-[(1-methyl-1,2,4-triazol-3-yl)oxy]pyridine-4-carbonitrile
CID 107059219
2-(2-tert-butyl-5-methylphenoxy)-3-chloropyridine-4-carbonitrile
CID 107058931
3-chloro-2-(3-hydroxynaphthalen-2-yl)oxypyridine-4-carbonitrile
CID 107061464
5-amino-2-(3-methylpyrazin-2-yl)oxybenzonitrile
CID 83062806

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-prop-2-enylphenoxy)-3-chloropyridine-4-carbonitrile?
The IUPAC name of 2-(4-amino-2-prop-2-enylphenoxy)-3-chloropyridine-4-carbonitrile (CID 107061102) is 2-(4-amino-2-prop-2-enylphenoxy)-3-chloropyridine-4-carbonitrile.
What is the SMILES notation for 2-(4-amino-2-prop-2-enylphenoxy)-3-chloropyridine-4-carbonitrile?
The canonical SMILES for 2-(4-amino-2-prop-2-enylphenoxy)-3-chloropyridine-4-carbonitrile is C=CCc1cc(N)ccc1Oc1nccc(C#N)c1Cl.
What is the InChIKey of 2-(4-amino-2-prop-2-enylphenoxy)-3-chloropyridine-4-carbonitrile?
The InChIKey is RJPUVZYPYGQOSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O/c1-2-3-10-8-12(18)4-5-13(10)20-15-14(16)11(9-17)6-7-19-15/h2,4-8H,1,3,18H2.
What are the key properties of 2-(4-amino-2-prop-2-enylphenoxy)-3-chloropyridine-4-carbonitrile?
2-(4-amino-2-prop-2-enylphenoxy)-3-chloropyridine-4-carbonitrile has a molecular weight of 285.73 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2-prop-2-enylphenoxy)-3-chloropyridine-4-carbonitrile is sourced from PubChem (CID 107061102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).