6-(2-chlorophenyl)-2-ethoxy-4-pyridin-3-ylpyridine-3-carbonitrile

C19H14ClN3O — CID 171429616

IUPAC6-(2-chlorophenyl)-2-ethoxy-4-pyridin-3-ylpyridine-3-carbonitrile
SMILESCCOc1nc(-c2ccccc2Cl)cc(-c2cccnc2)c1C#N
InChIInChI=1S/C19H14ClN3O/c1-2-24-19-16(11-21)15(13-6-5-9-22-12-13)10-18(23-19)14-7-3-4-8-17(14)20/h3-10,12H,2H2,1H3
InChIKeyHFPBCHSYXABDSJ-UHFFFAOYSA-N
MW335.79 g/mol
LogP4.73
Rot. Bonds4

About 6-(2-chlorophenyl)-2-ethoxy-4-pyridin-3-ylpyridine-3-carbonitrile

6-(2-chlorophenyl)-2-ethoxy-4-pyridin-3-ylpyridine-3-carbonitrile (PubChem CID 171429616) has the molecular formula C19H14ClN3O and a molecular weight of 335.79 g/mol. Its IUPAC name is 6-(2-chlorophenyl)-2-ethoxy-4-pyridin-3-ylpyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(2-chlorophenyl)-2-ethoxy-4-pyridin-3-ylpyridine-3-carbonitrile
PubChem CID171429616
Molecular FormulaC19H14ClN3O
Molecular Weight335.79 g/mol
Exact Mass335.08
IUPAC Name6-(2-chlorophenyl)-2-ethoxy-4-pyridin-3-ylpyridine-3-carbonitrile
SMILESCCOc1nc(-c2ccccc2Cl)cc(-c2cccnc2)c1C#N
InChIInChI=1S/C19H14ClN3O/c1-2-24-19-16(11-21)15(13-6-5-9-22-12-13)10-18(23-19)14-7-3-4-8-17(14)20/h3-10,12H,2H2,1H3
InChIKeyHFPBCHSYXABDSJ-UHFFFAOYSA-N
XLogP4.73
TPSA58.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.79
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethoxy-6-(2-hydroxy-3-oxocyclohepta-1,4,6-trien-1-yl)-4-phenylpyridine-3-carbonitrile
CID 135753503
6-(4-bromophenyl)-2-ethoxy-4-phenylpyridine-3-carbonitrile
CID 3112245
4-(3-chlorophenyl)-2-ethoxy-6-(3-methoxyphenyl)pyridine-3-carbonitrile
CID 4096252
2-amino-6-(2-bromophenyl)-4-pyridin-3-ylpyridine-3-carbonitrile
CID 5117531
4-(3-bromophenyl)-6-(4-chlorophenyl)-2-ethoxypyridine-3-carbonitrile
CID 4266918
2-amino-4-(2-chlorophenyl)-6-(4-ethoxyphenyl)pyridine-3-carbonitrile
CID 5259033
2-pyridin-3-ylnaphthalene-1-carbonitrile
CID 71514388
2-amino-6-ethoxy-4-(2-hydroxyphenyl)pyridine-3,5-dicarbonitrile
CID 137301601
2-amino-6-(4-propylphenyl)-4-pyridin-3-ylpyridine-3-carbonitrile
CID 5088040
3,5-dipyridin-3-ylpyridine-4-carbonitrile
CID 46316354
6-(3-chloro-2-pyridinyl)-2-methoxy-4-(4-methylphenyl)pyridine-3-carbonitrile
CID 164955818
4-amino-5-cyano-6-ethoxy-N-(2-pyridin-3-ylethyl)pyridine-2-carboxamide
CID 70924870

Frequently Asked Questions

What is the IUPAC name of 6-(2-chlorophenyl)-2-ethoxy-4-pyridin-3-ylpyridine-3-carbonitrile?
The IUPAC name of 6-(2-chlorophenyl)-2-ethoxy-4-pyridin-3-ylpyridine-3-carbonitrile (CID 171429616) is 6-(2-chlorophenyl)-2-ethoxy-4-pyridin-3-ylpyridine-3-carbonitrile.
What is the SMILES notation for 6-(2-chlorophenyl)-2-ethoxy-4-pyridin-3-ylpyridine-3-carbonitrile?
The canonical SMILES for 6-(2-chlorophenyl)-2-ethoxy-4-pyridin-3-ylpyridine-3-carbonitrile is CCOc1nc(-c2ccccc2Cl)cc(-c2cccnc2)c1C#N.
What is the InChIKey of 6-(2-chlorophenyl)-2-ethoxy-4-pyridin-3-ylpyridine-3-carbonitrile?
The InChIKey is HFPBCHSYXABDSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN3O/c1-2-24-19-16(11-21)15(13-6-5-9-22-12-13)10-18(23-19)14-7-3-4-8-17(14)20/h3-10,12H,2H2,1H3.
What are the key properties of 6-(2-chlorophenyl)-2-ethoxy-4-pyridin-3-ylpyridine-3-carbonitrile?
6-(2-chlorophenyl)-2-ethoxy-4-pyridin-3-ylpyridine-3-carbonitrile has a molecular weight of 335.79 g/mol, XLogP of 4.73, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chlorophenyl)-2-ethoxy-4-pyridin-3-ylpyridine-3-carbonitrile is sourced from PubChem (CID 171429616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).