2-[2-methyl-5-(2,3,4,5,6-pentafluorophenyl)phenyl]pyridine

C18H10F5N — CID 134268745

IUPAC2-[2-methyl-5-(2,3,4,5,6-pentafluorophenyl)phenyl]pyridine
SMILESCc1ccc(-c2c(F)c(F)c(F)c(F)c2F)cc1-c1ccccn1
InChIInChI=1S/C18H10F5N/c1-9-5-6-10(8-11(9)12-4-2-3-7-24-12)13-14(19)16(21)18(23)17(22)15(13)20/h2-8H,1H3
InChIKeyIIYJOGNVXRALBT-UHFFFAOYSA-N
MW335.28 g/mol
LogP5.42
Rot. Bonds2

About 2-[2-methyl-5-(2,3,4,5,6-pentafluorophenyl)phenyl]pyridine

2-[2-methyl-5-(2,3,4,5,6-pentafluorophenyl)phenyl]pyridine (PubChem CID 134268745) has the molecular formula C18H10F5N and a molecular weight of 335.28 g/mol. Its IUPAC name is 2-[2-methyl-5-(2,3,4,5,6-pentafluorophenyl)phenyl]pyridine.

Molecular Properties

Compound Name2-[2-methyl-5-(2,3,4,5,6-pentafluorophenyl)phenyl]pyridine
PubChem CID134268745
Molecular FormulaC18H10F5N
Molecular Weight335.28 g/mol
Exact Mass335.07
IUPAC Name2-[2-methyl-5-(2,3,4,5,6-pentafluorophenyl)phenyl]pyridine
SMILESCc1ccc(-c2c(F)c(F)c(F)c(F)c2F)cc1-c1ccccn1
InChIInChI=1S/C18H10F5N/c1-9-5-6-10(8-11(9)12-4-2-3-7-24-12)13-14(19)16(21)18(23)17(22)15(13)20/h2-8H,1H3
InChIKeyIIYJOGNVXRALBT-UHFFFAOYSA-N
XLogP5.42
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.28
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-(2,5-dimethyl-4-pyridin-2-ylphenyl)pyridine
CID 118652406
2-(4,5-difluoro-2-methylphenyl)pyridine;ethane
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2-(2-fluoro-3-methylphenyl)pyridine
CID 175536337
2-(2-methylphenyl)pyridine
CID 144596153
2-(2,5-difluoro-4-methylphenyl)pyridine
CID 170974832
2-(5-fluoro-4-isocyano-2-methylphenyl)pyridine
CID 153319439
2-methyl-5-(2-pyridin-2-ylphenyl)aniline
CID 135030637
5-[2-methyl-5-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-pyridin-2-ylpyridine
CID 88554780
2-(4-methyl-5-phenyl-2-pyridin-2-ylphenyl)pyridine
CID 146397355
2-(2,4,6-trimethyl-3-pyridin-2-ylphenyl)pyridine
CID 140909024
2-(4-phenyl-2-pyridin-2-ylphenyl)pyridine
CID 142417656
CID 158478788
CID 158478788

Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-5-(2,3,4,5,6-pentafluorophenyl)phenyl]pyridine?
The IUPAC name of 2-[2-methyl-5-(2,3,4,5,6-pentafluorophenyl)phenyl]pyridine (CID 134268745) is 2-[2-methyl-5-(2,3,4,5,6-pentafluorophenyl)phenyl]pyridine.
What is the SMILES notation for 2-[2-methyl-5-(2,3,4,5,6-pentafluorophenyl)phenyl]pyridine?
The canonical SMILES for 2-[2-methyl-5-(2,3,4,5,6-pentafluorophenyl)phenyl]pyridine is Cc1ccc(-c2c(F)c(F)c(F)c(F)c2F)cc1-c1ccccn1.
What is the InChIKey of 2-[2-methyl-5-(2,3,4,5,6-pentafluorophenyl)phenyl]pyridine?
The InChIKey is IIYJOGNVXRALBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10F5N/c1-9-5-6-10(8-11(9)12-4-2-3-7-24-12)13-14(19)16(21)18(23)17(22)15(13)20/h2-8H,1H3.
What are the key properties of 2-[2-methyl-5-(2,3,4,5,6-pentafluorophenyl)phenyl]pyridine?
2-[2-methyl-5-(2,3,4,5,6-pentafluorophenyl)phenyl]pyridine has a molecular weight of 335.28 g/mol, XLogP of 5.42, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-5-(2,3,4,5,6-pentafluorophenyl)phenyl]pyridine is sourced from PubChem (CID 134268745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).