2-[2,4-difluoro-5-(5-methyl-2-pyridinyl)phenyl]-5-dodecylpyridine

C29H36F2N2 — CID 162214367

IUPAC2-[2,4-difluoro-5-(5-methyl-2-pyridinyl)phenyl]-5-dodecylpyridine
SMILESCCCCCCCCCCCCc1ccc(-c2cc(-c3ccc(C)cn3)c(F)cc2F)nc1
InChIInChI=1S/C29H36F2N2/c1-3-4-5-6-7-8-9-10-11-12-13-23-15-17-29(33-21-23)25-18-24(26(30)19-27(25)31)28-16-14-22(2)20-32-28/h14-21H,3-13H2,1-2H3
InChIKeyPQYZLGOWEFCWOQ-UHFFFAOYSA-N
MW450.62 g/mol
LogP8.86
Rot. Bonds13

About 2-[2,4-difluoro-5-(5-methyl-2-pyridinyl)phenyl]-5-dodecylpyridine

2-[2,4-difluoro-5-(5-methyl-2-pyridinyl)phenyl]-5-dodecylpyridine (PubChem CID 162214367) has the molecular formula C29H36F2N2 and a molecular weight of 450.62 g/mol. Its IUPAC name is 2-[2,4-difluoro-5-(5-methyl-2-pyridinyl)phenyl]-5-dodecylpyridine.

Molecular Properties

Compound Name2-[2,4-difluoro-5-(5-methyl-2-pyridinyl)phenyl]-5-dodecylpyridine
PubChem CID162214367
Molecular FormulaC29H36F2N2
Molecular Weight450.62 g/mol
Exact Mass450.28
IUPAC Name2-[2,4-difluoro-5-(5-methyl-2-pyridinyl)phenyl]-5-dodecylpyridine
SMILESCCCCCCCCCCCCc1ccc(-c2cc(-c3ccc(C)cn3)c(F)cc2F)nc1
InChIInChI=1S/C29H36F2N2/c1-3-4-5-6-7-8-9-10-11-12-13-23-15-17-29(33-21-23)25-18-24(26(30)19-27(25)31)28-16-14-22(2)20-32-28/h14-21H,3-13H2,1-2H3
InChIKeyPQYZLGOWEFCWOQ-UHFFFAOYSA-N
XLogP8.86
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.62
LogP ≤ 58.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-fluoro-4-methylphenyl)-5-pentylpyridine
CID 19101131
2-[2,4-difluoro-5-(5-methyl-2-pyridinyl)phenyl]-5-methylpyridine
CID 71045655
3-fluoro-4-(5-heptyl-2-pyridinyl)phenol
CID 139691046
2-(2-fluoro-4-hexoxyphenyl)-5-hexylpyridine
CID 19101204
chloroplatinum;2-[2,4-difluoro-5-[5-[2-(4-octylphenyl)ethynyl]-2-pyridinyl]phenyl]-5-[2-(4-octylphenyl)ethynyl]pyridine
CID 140584426
2-[2,4-difluoro-5-[5-[2-(3,4,5-tridodecoxyphenyl)ethyl]-2-pyridinyl]phenyl]-5-[2-(3,4,5-tridodecoxyphenyl)ethyl]pyridine
CID 59621413
2-[4-(2-fluoro-4-pentylphenyl)phenyl]-5-heptylpyridine
CID 19859898
5-nonadecyl-2-(5-nonadecyl-2-pyridinyl)pyridine
CID 14048482
2-(2-fluoro-4-methoxyphenyl)-5-pentylpyridine
CID 19101339
2-(2-methoxy-4-methylphenyl)-5-pentylpyridine
CID 57131697
2-(2-fluoro-4-octoxyphenyl)-5-methylpyridine
CID 19768408
2-(2-fluoro-4-octylphenyl)-5-(4-hexylphenyl)pyridine
CID 19859819

Frequently Asked Questions

What is the IUPAC name of 2-[2,4-difluoro-5-(5-methyl-2-pyridinyl)phenyl]-5-dodecylpyridine?
The IUPAC name of 2-[2,4-difluoro-5-(5-methyl-2-pyridinyl)phenyl]-5-dodecylpyridine (CID 162214367) is 2-[2,4-difluoro-5-(5-methyl-2-pyridinyl)phenyl]-5-dodecylpyridine.
What is the SMILES notation for 2-[2,4-difluoro-5-(5-methyl-2-pyridinyl)phenyl]-5-dodecylpyridine?
The canonical SMILES for 2-[2,4-difluoro-5-(5-methyl-2-pyridinyl)phenyl]-5-dodecylpyridine is CCCCCCCCCCCCc1ccc(-c2cc(-c3ccc(C)cn3)c(F)cc2F)nc1.
What is the InChIKey of 2-[2,4-difluoro-5-(5-methyl-2-pyridinyl)phenyl]-5-dodecylpyridine?
The InChIKey is PQYZLGOWEFCWOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36F2N2/c1-3-4-5-6-7-8-9-10-11-12-13-23-15-17-29(33-21-23)25-18-24(26(30)19-27(25)31)28-16-14-22(2)20-32-28/h14-21H,3-13H2,1-2H3.
What are the key properties of 2-[2,4-difluoro-5-(5-methyl-2-pyridinyl)phenyl]-5-dodecylpyridine?
2-[2,4-difluoro-5-(5-methyl-2-pyridinyl)phenyl]-5-dodecylpyridine has a molecular weight of 450.62 g/mol, XLogP of 8.86, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,4-difluoro-5-(5-methyl-2-pyridinyl)phenyl]-5-dodecylpyridine is sourced from PubChem (CID 162214367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).