2-chloro-6-ethoxy-4-phenylpyridine-3,5-dicarbonitrile

C15H10ClN3O — CID 11033374

IUPAC2-chloro-6-ethoxy-4-phenylpyridine-3,5-dicarbonitrile
SMILESCCOc1nc(Cl)c(C#N)c(-c2ccccc2)c1C#N
InChIInChI=1S/C15H10ClN3O/c1-2-20-15-12(9-18)13(10-6-4-3-5-7-10)11(8-17)14(16)19-15/h3-7H,2H2,1H3
InChIKeySILZTAMGRXLTQI-UHFFFAOYSA-N
MW283.72 g/mol
LogP3.54
Rot. Bonds3

About 2-chloro-6-ethoxy-4-phenylpyridine-3,5-dicarbonitrile

2-chloro-6-ethoxy-4-phenylpyridine-3,5-dicarbonitrile (PubChem CID 11033374) has the molecular formula C15H10ClN3O and a molecular weight of 283.72 g/mol. Its IUPAC name is 2-chloro-6-ethoxy-4-phenylpyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-chloro-6-ethoxy-4-phenylpyridine-3,5-dicarbonitrile
PubChem CID11033374
Molecular FormulaC15H10ClN3O
Molecular Weight283.72 g/mol
Exact Mass283.05
IUPAC Name2-chloro-6-ethoxy-4-phenylpyridine-3,5-dicarbonitrile
SMILESCCOc1nc(Cl)c(C#N)c(-c2ccccc2)c1C#N
InChIInChI=1S/C15H10ClN3O/c1-2-20-15-12(9-18)13(10-6-4-3-5-7-10)11(8-17)14(16)19-15/h3-7H,2H2,1H3
InChIKeySILZTAMGRXLTQI-UHFFFAOYSA-N
XLogP3.54
TPSA69.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.72
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-(6-Chloropyridin-2-yl)-2-(2-methoxyphenyl)acetonitrile
CID 3713668
2-(3-Chlorobenzyloxy)-6-chloroisonicotinonitrile
CID 44409846
2-(3-Chloro-benzyloxy)-6-methyl-isonicotinonitrile
CID 15949470
4-(4-Chlorophenyl)-2-methoxy-6-phenylpyridine-3-carbonitrile
CID 678564
6-[(3-Chlorophenyl)methoxy]-4-methylpyridine-2-carbonitrile
CID 73755216
2-(Benzyloxy)-6-(4-chlorophenyl)-5-phenylnicotinonitrile
CID 10194245
5-(4-Chlorophenyl)-6-(2,4-dichlorophenyl)-2-isopropoxynicotinonitrile
CID 10287827
2-Benzyloxy-5-(4-chloro-phenyl)-6-(2,4-dichloro-phenyl)-nicotinonitrile
CID 44390375
2-(3,4-Difluorobenzyloxy)-6-(2-chlorophenyl)-5-(4-chlorophenyl)nicotinonitrile
CID 44390485
2-Amino-3,5-dicyano-4-(2-chlorophenol)-6-ethoxypyridine
CID 693217
2-Chloro-6-(4-methoxyphenyl)nicotinonitrile
CID 2768878
5,6-Bis-(4-chloro-phenyl)-2-(3,4-difluoro-benzyloxy)-nicotinonitrile
CID 44390460

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-ethoxy-4-phenylpyridine-3,5-dicarbonitrile?
The IUPAC name of 2-chloro-6-ethoxy-4-phenylpyridine-3,5-dicarbonitrile (CID 11033374) is 2-chloro-6-ethoxy-4-phenylpyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-chloro-6-ethoxy-4-phenylpyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-chloro-6-ethoxy-4-phenylpyridine-3,5-dicarbonitrile is CCOc1nc(Cl)c(C#N)c(-c2ccccc2)c1C#N.
What is the InChIKey of 2-chloro-6-ethoxy-4-phenylpyridine-3,5-dicarbonitrile?
The InChIKey is SILZTAMGRXLTQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClN3O/c1-2-20-15-12(9-18)13(10-6-4-3-5-7-10)11(8-17)14(16)19-15/h3-7H,2H2,1H3.
What are the key properties of 2-chloro-6-ethoxy-4-phenylpyridine-3,5-dicarbonitrile?
2-chloro-6-ethoxy-4-phenylpyridine-3,5-dicarbonitrile has a molecular weight of 283.72 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-ethoxy-4-phenylpyridine-3,5-dicarbonitrile is sourced from PubChem (CID 11033374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).