4-methyl-5-pyridin-4-yl-2-(2,4,5-trifluorophenyl)pyridine

C17H11F3N2 — CID 168822121

IUPAC4-methyl-5-pyridin-4-yl-2-(2,4,5-trifluorophenyl)pyridine
SMILESCc1cc(-c2cc(F)c(F)cc2F)ncc1-c1ccncc1
InChIInChI=1S/C17H11F3N2/c1-10-6-17(12-7-15(19)16(20)8-14(12)18)22-9-13(10)11-2-4-21-5-3-11/h2-9H,1H3
InChIKeyJKMNYWZIICTFEE-UHFFFAOYSA-N
MW300.28 g/mol
LogP4.54
Rot. Bonds2

About 4-methyl-5-pyridin-4-yl-2-(2,4,5-trifluorophenyl)pyridine

4-methyl-5-pyridin-4-yl-2-(2,4,5-trifluorophenyl)pyridine (PubChem CID 168822121) has the molecular formula C17H11F3N2 and a molecular weight of 300.28 g/mol. Its IUPAC name is 4-methyl-5-pyridin-4-yl-2-(2,4,5-trifluorophenyl)pyridine.

Molecular Properties

Compound Name4-methyl-5-pyridin-4-yl-2-(2,4,5-trifluorophenyl)pyridine
PubChem CID168822121
Molecular FormulaC17H11F3N2
Molecular Weight300.28 g/mol
Exact Mass300.09
IUPAC Name4-methyl-5-pyridin-4-yl-2-(2,4,5-trifluorophenyl)pyridine
SMILESCc1cc(-c2cc(F)c(F)cc2F)ncc1-c1ccncc1
InChIInChI=1S/C17H11F3N2/c1-10-6-17(12-7-15(19)16(20)8-14(12)18)22-9-13(10)11-2-4-21-5-3-11/h2-9H,1H3
InChIKeyJKMNYWZIICTFEE-UHFFFAOYSA-N
XLogP4.54
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.28
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

4-(2,5-difluoro-4-pyridin-4-ylphenyl)pyridine
CID 102193894
5-(4-fluorophenyl)-4-methyl-2-(4-methylphenyl)pyridine
CID 142308493
iridium;tris(4-methyl-2,5-diphenylpyridine)
CID 158257140
5-(4-fluorophenyl)-4-methyl-2-(4-phenylphenyl)pyridine
CID 142322042
4-methyl-5-(2,4,5-trifluorophenyl)pyridin-2-amine
CID 115503101
4-(2-fluoro-5-methylphenyl)pyridine
CID 46317281
2-[2,4-difluoro-5-(5-methyl-2-pyridinyl)phenyl]-5-methylpyridine
CID 71045655
4-(7-fluoro-4-methyl-2,3-dihydro-1H-inden-5-yl)pyridine
CID 154660449
4-(2,4-difluorophenyl)pyridine
CID 45036856
2-fluoro-5-(4-fluorophenyl)-4-methylpyridine
CID 46312606
ethane;4-methyl-2-(4-methylphenyl)-5-phenylpyridine
CID 142296902
2,5-dipyridin-4-ylpyridine-4-carbaldehyde
CID 131870499

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-pyridin-4-yl-2-(2,4,5-trifluorophenyl)pyridine?
The IUPAC name of 4-methyl-5-pyridin-4-yl-2-(2,4,5-trifluorophenyl)pyridine (CID 168822121) is 4-methyl-5-pyridin-4-yl-2-(2,4,5-trifluorophenyl)pyridine.
What is the SMILES notation for 4-methyl-5-pyridin-4-yl-2-(2,4,5-trifluorophenyl)pyridine?
The canonical SMILES for 4-methyl-5-pyridin-4-yl-2-(2,4,5-trifluorophenyl)pyridine is Cc1cc(-c2cc(F)c(F)cc2F)ncc1-c1ccncc1.
What is the InChIKey of 4-methyl-5-pyridin-4-yl-2-(2,4,5-trifluorophenyl)pyridine?
The InChIKey is JKMNYWZIICTFEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3N2/c1-10-6-17(12-7-15(19)16(20)8-14(12)18)22-9-13(10)11-2-4-21-5-3-11/h2-9H,1H3.
What are the key properties of 4-methyl-5-pyridin-4-yl-2-(2,4,5-trifluorophenyl)pyridine?
4-methyl-5-pyridin-4-yl-2-(2,4,5-trifluorophenyl)pyridine has a molecular weight of 300.28 g/mol, XLogP of 4.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-pyridin-4-yl-2-(2,4,5-trifluorophenyl)pyridine is sourced from PubChem (CID 168822121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).