4-butoxy-2-[5-(4-butoxy-2-pyridinyl)-2,4-difluorophenyl]pyridine

C24H26F2N2O2 — CID 71148841

IUPAC4-butoxy-2-[5-(4-butoxy-2-pyridinyl)-2,4-difluorophenyl]pyridine
SMILESCCCCOc1ccnc(-c2cc(-c3cc(OCCCC)ccn3)c(F)cc2F)c1
InChIInChI=1S/C24H26F2N2O2/c1-3-5-11-29-17-7-9-27-23(13-17)19-15-20(22(26)16-21(19)25)24-14-18(8-10-28-24)30-12-6-4-2/h7-10,13-16H,3-6,11-12H2,1-2H3
InChIKeySAKNBLZPJULLNO-UHFFFAOYSA-N
MW412.48 g/mol
LogP6.45
Rot. Bonds10

About 4-butoxy-2-[5-(4-butoxy-2-pyridinyl)-2,4-difluorophenyl]pyridine

4-butoxy-2-[5-(4-butoxy-2-pyridinyl)-2,4-difluorophenyl]pyridine (PubChem CID 71148841) has the molecular formula C24H26F2N2O2 and a molecular weight of 412.48 g/mol. Its IUPAC name is 4-butoxy-2-[5-(4-butoxy-2-pyridinyl)-2,4-difluorophenyl]pyridine.

Molecular Properties

Compound Name4-butoxy-2-[5-(4-butoxy-2-pyridinyl)-2,4-difluorophenyl]pyridine
PubChem CID71148841
Molecular FormulaC24H26F2N2O2
Molecular Weight412.48 g/mol
Exact Mass412.20
IUPAC Name4-butoxy-2-[5-(4-butoxy-2-pyridinyl)-2,4-difluorophenyl]pyridine
SMILESCCCCOc1ccnc(-c2cc(-c3cc(OCCCC)ccn3)c(F)cc2F)c1
InChIInChI=1S/C24H26F2N2O2/c1-3-5-11-29-17-7-9-27-23(13-17)19-15-20(22(26)16-21(19)25)24-14-18(8-10-28-24)30-12-6-4-2/h7-10,13-16H,3-6,11-12H2,1-2H3
InChIKeySAKNBLZPJULLNO-UHFFFAOYSA-N
XLogP6.45
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.48
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-butoxy-2-[5-(4-butoxy-2-pyridinyl)-2,4-difluorophenyl]pyridine?
The IUPAC name of 4-butoxy-2-[5-(4-butoxy-2-pyridinyl)-2,4-difluorophenyl]pyridine (CID 71148841) is 4-butoxy-2-[5-(4-butoxy-2-pyridinyl)-2,4-difluorophenyl]pyridine.
What is the SMILES notation for 4-butoxy-2-[5-(4-butoxy-2-pyridinyl)-2,4-difluorophenyl]pyridine?
The canonical SMILES for 4-butoxy-2-[5-(4-butoxy-2-pyridinyl)-2,4-difluorophenyl]pyridine is CCCCOc1ccnc(-c2cc(-c3cc(OCCCC)ccn3)c(F)cc2F)c1.
What is the InChIKey of 4-butoxy-2-[5-(4-butoxy-2-pyridinyl)-2,4-difluorophenyl]pyridine?
The InChIKey is SAKNBLZPJULLNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F2N2O2/c1-3-5-11-29-17-7-9-27-23(13-17)19-15-20(22(26)16-21(19)25)24-14-18(8-10-28-24)30-12-6-4-2/h7-10,13-16H,3-6,11-12H2,1-2H3.
What are the key properties of 4-butoxy-2-[5-(4-butoxy-2-pyridinyl)-2,4-difluorophenyl]pyridine?
4-butoxy-2-[5-(4-butoxy-2-pyridinyl)-2,4-difluorophenyl]pyridine has a molecular weight of 412.48 g/mol, XLogP of 6.45, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-2-[5-(4-butoxy-2-pyridinyl)-2,4-difluorophenyl]pyridine is sourced from PubChem (CID 71148841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).