2-chloro-6-ethoxy-4-[4-(2-hydroxyethoxy)phenyl]pyridine-3,5-dicarbonitrile

C17H14ClN3O3 — CID 58297349

IUPAC2-chloro-6-ethoxy-4-[4-(2-hydroxyethoxy)phenyl]pyridine-3,5-dicarbonitrile
SMILESCCOc1nc(Cl)c(C#N)c(-c2ccc(OCCO)cc2)c1C#N
InChIInChI=1S/C17H14ClN3O3/c1-2-23-17-14(10-20)15(13(9-19)16(18)21-17)11-3-5-12(6-4-11)24-8-7-22/h3-6,22H,2,7-8H2,1H3
InChIKeyXQJCFNQTTSBBLW-UHFFFAOYSA-N
MW343.77 g/mol
LogP2.92
Rot. Bonds6

About 2-chloro-6-ethoxy-4-[4-(2-hydroxyethoxy)phenyl]pyridine-3,5-dicarbonitrile

2-chloro-6-ethoxy-4-[4-(2-hydroxyethoxy)phenyl]pyridine-3,5-dicarbonitrile (PubChem CID 58297349) has the molecular formula C17H14ClN3O3 and a molecular weight of 343.77 g/mol. Its IUPAC name is 2-chloro-6-ethoxy-4-[4-(2-hydroxyethoxy)phenyl]pyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-chloro-6-ethoxy-4-[4-(2-hydroxyethoxy)phenyl]pyridine-3,5-dicarbonitrile
PubChem CID58297349
Molecular FormulaC17H14ClN3O3
Molecular Weight343.77 g/mol
Exact Mass343.07
IUPAC Name2-chloro-6-ethoxy-4-[4-(2-hydroxyethoxy)phenyl]pyridine-3,5-dicarbonitrile
SMILESCCOc1nc(Cl)c(C#N)c(-c2ccc(OCCO)cc2)c1C#N
InChIInChI=1S/C17H14ClN3O3/c1-2-23-17-14(10-20)15(13(9-19)16(18)21-17)11-3-5-12(6-4-11)24-8-7-22/h3-6,22H,2,7-8H2,1H3
InChIKeyXQJCFNQTTSBBLW-UHFFFAOYSA-N
XLogP2.92
TPSA99.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.77
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-ethoxy-4-[4-(2-hydroxyethoxy)phenyl]pyridine-3,5-dicarbonitrile?
The IUPAC name of 2-chloro-6-ethoxy-4-[4-(2-hydroxyethoxy)phenyl]pyridine-3,5-dicarbonitrile (CID 58297349) is 2-chloro-6-ethoxy-4-[4-(2-hydroxyethoxy)phenyl]pyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-chloro-6-ethoxy-4-[4-(2-hydroxyethoxy)phenyl]pyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-chloro-6-ethoxy-4-[4-(2-hydroxyethoxy)phenyl]pyridine-3,5-dicarbonitrile is CCOc1nc(Cl)c(C#N)c(-c2ccc(OCCO)cc2)c1C#N.
What is the InChIKey of 2-chloro-6-ethoxy-4-[4-(2-hydroxyethoxy)phenyl]pyridine-3,5-dicarbonitrile?
The InChIKey is XQJCFNQTTSBBLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O3/c1-2-23-17-14(10-20)15(13(9-19)16(18)21-17)11-3-5-12(6-4-11)24-8-7-22/h3-6,22H,2,7-8H2,1H3.
What are the key properties of 2-chloro-6-ethoxy-4-[4-(2-hydroxyethoxy)phenyl]pyridine-3,5-dicarbonitrile?
2-chloro-6-ethoxy-4-[4-(2-hydroxyethoxy)phenyl]pyridine-3,5-dicarbonitrile has a molecular weight of 343.77 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-ethoxy-4-[4-(2-hydroxyethoxy)phenyl]pyridine-3,5-dicarbonitrile is sourced from PubChem (CID 58297349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).