4-[2,5-bis(ethoxymethyl)-4-pyridin-4-ylphenyl]pyridine

C22H24N2O2 — CID 132938539

IUPAC4-[2,5-bis(ethoxymethyl)-4-pyridin-4-ylphenyl]pyridine
SMILESCCOCc1cc(-c2ccncc2)c(COCC)cc1-c1ccncc1
InChIInChI=1S/C22H24N2O2/c1-3-25-15-19-13-22(18-7-11-24-12-8-18)20(16-26-4-2)14-21(19)17-5-9-23-10-6-17/h5-14H,3-4,15-16H2,1-2H3
InChIKeyBSISOCQIRZLWIV-UHFFFAOYSA-N
MW348.45 g/mol
LogP4.88
Rot. Bonds8

About 4-[2,5-bis(ethoxymethyl)-4-pyridin-4-ylphenyl]pyridine

4-[2,5-bis(ethoxymethyl)-4-pyridin-4-ylphenyl]pyridine (PubChem CID 132938539) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 4-[2,5-bis(ethoxymethyl)-4-pyridin-4-ylphenyl]pyridine.

Molecular Properties

Compound Name4-[2,5-bis(ethoxymethyl)-4-pyridin-4-ylphenyl]pyridine
PubChem CID132938539
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC Name4-[2,5-bis(ethoxymethyl)-4-pyridin-4-ylphenyl]pyridine
SMILESCCOCc1cc(-c2ccncc2)c(COCC)cc1-c1ccncc1
InChIInChI=1S/C22H24N2O2/c1-3-25-15-19-13-22(18-7-11-24-12-8-18)20(16-26-4-2)14-21(19)17-5-9-23-10-6-17/h5-14H,3-4,15-16H2,1-2H3
InChIKeyBSISOCQIRZLWIV-UHFFFAOYSA-N
XLogP4.88
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethanol;4-(2,4,5-tripyridin-4-ylphenyl)pyridine
CID 139144971
1,2,3,4-tetrakis(ethoxymethyl)-5-phenylbenzene
CID 139792807
(4,5-dimethoxy-2-pyridin-4-ylphenyl)methanamine
CID 61075245
4-(2-ethoxyphenyl)pyridine
CID 23466193
4-(2,3,4,5-tetrapyridin-4-ylphenyl)pyridine
CID 88853115
1,2-bis(ethoxymethyl)-3-phenylbenzene
CID 67372084
4-[25,26,27,28-tetrakis(2-ethoxyethoxy)-11,17,23-tripyridin-4-yl-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]pyridine
CID 10534052
4-[2-hexyl-4-[2,4,5-tris(3-hexyl-4-pyridin-4-ylphenyl)phenyl]phenyl]pyridine
CID 89402899
3,4-bis(ethoxymethyl)phenol
CID 175162905
(5-ethoxy-2-pyridin-4-yl-4-pyridinyl)methanamine
CID 132588994
4-[2-(2,2-dimethylpropyl)phenyl]pyridine
CID 155206969
4-[4-[2,4-diphenyl-5-(4-pyridin-4-ylphenyl)phenyl]phenyl]pyridine
CID 67990612

Frequently Asked Questions

What is the IUPAC name of 4-[2,5-bis(ethoxymethyl)-4-pyridin-4-ylphenyl]pyridine?
The IUPAC name of 4-[2,5-bis(ethoxymethyl)-4-pyridin-4-ylphenyl]pyridine (CID 132938539) is 4-[2,5-bis(ethoxymethyl)-4-pyridin-4-ylphenyl]pyridine.
What is the SMILES notation for 4-[2,5-bis(ethoxymethyl)-4-pyridin-4-ylphenyl]pyridine?
The canonical SMILES for 4-[2,5-bis(ethoxymethyl)-4-pyridin-4-ylphenyl]pyridine is CCOCc1cc(-c2ccncc2)c(COCC)cc1-c1ccncc1.
What is the InChIKey of 4-[2,5-bis(ethoxymethyl)-4-pyridin-4-ylphenyl]pyridine?
The InChIKey is BSISOCQIRZLWIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-3-25-15-19-13-22(18-7-11-24-12-8-18)20(16-26-4-2)14-21(19)17-5-9-23-10-6-17/h5-14H,3-4,15-16H2,1-2H3.
What are the key properties of 4-[2,5-bis(ethoxymethyl)-4-pyridin-4-ylphenyl]pyridine?
4-[2,5-bis(ethoxymethyl)-4-pyridin-4-ylphenyl]pyridine has a molecular weight of 348.45 g/mol, XLogP of 4.88, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,5-bis(ethoxymethyl)-4-pyridin-4-ylphenyl]pyridine is sourced from PubChem (CID 132938539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).