2-[5-tert-butyl-2-(5-fluoro-3-methyl-2-pyridin-2-ylphenyl)phenyl]-5-fluoropyridine

C27H24F2N2 — CID 155908899

IUPAC2-[5-tert-butyl-2-(5-fluoro-3-methyl-2-pyridin-2-ylphenyl)phenyl]-5-fluoropyridine
SMILESCc1cc(F)cc(-c2ccc(C(C)(C)C)cc2-c2ccc(F)cn2)c1-c1ccccn1
InChIInChI=1S/C27H24F2N2/c1-17-13-20(29)15-23(26(17)25-7-5-6-12-30-25)21-10-8-18(27(2,3)4)14-22(21)24-11-9-19(28)16-31-24/h5-16H,1-4H3
InChIKeyFJEFAWJTTUFPNQ-UHFFFAOYSA-N
MW414.50 g/mol
LogP7.36
Rot. Bonds3

About 2-[5-tert-butyl-2-(5-fluoro-3-methyl-2-pyridin-2-ylphenyl)phenyl]-5-fluoropyridine

2-[5-tert-butyl-2-(5-fluoro-3-methyl-2-pyridin-2-ylphenyl)phenyl]-5-fluoropyridine (PubChem CID 155908899) has the molecular formula C27H24F2N2 and a molecular weight of 414.50 g/mol. Its IUPAC name is 2-[5-tert-butyl-2-(5-fluoro-3-methyl-2-pyridin-2-ylphenyl)phenyl]-5-fluoropyridine.

Molecular Properties

Compound Name2-[5-tert-butyl-2-(5-fluoro-3-methyl-2-pyridin-2-ylphenyl)phenyl]-5-fluoropyridine
PubChem CID155908899
Molecular FormulaC27H24F2N2
Molecular Weight414.50 g/mol
Exact Mass414.19
IUPAC Name2-[5-tert-butyl-2-(5-fluoro-3-methyl-2-pyridin-2-ylphenyl)phenyl]-5-fluoropyridine
SMILESCc1cc(F)cc(-c2ccc(C(C)(C)C)cc2-c2ccc(F)cn2)c1-c1ccccn1
InChIInChI=1S/C27H24F2N2/c1-17-13-20(29)15-23(26(17)25-7-5-6-12-30-25)21-10-8-18(27(2,3)4)14-22(21)24-11-9-19(28)16-31-24/h5-16H,1-4H3
InChIKeyFJEFAWJTTUFPNQ-UHFFFAOYSA-N
XLogP7.36
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.50
LogP ≤ 57.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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BC-1215
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CID 80259
3-(Naphthalen-2-yl)pyridine
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4-[6-(4-Fluorophenyl)-3,4-dihydronaphthalen-1-yl]pyridine
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3-(3-Benzylnaphthalen-2-yl)pyridine
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4-((3'',4''-Difluorobiphenyl-4-yl)methyl)pyridine
CID 46901616
4-(4''-Fluoro-biphenyl-4-ylmethyl)pyridine
CID 49864196
5-[4-Fluoro-3-(3-fluoropyridin-2-yl)phenyl]-3-(2-fluorophenyl)-pyridazine
CID 10384086
5-[3-(3,5-Difluoropyridin-2-yl)-4-fluorophenyl]-3-(2-fluorophenyl)pyridazine
CID 10474944

Frequently Asked Questions

What is the IUPAC name of 2-[5-tert-butyl-2-(5-fluoro-3-methyl-2-pyridin-2-ylphenyl)phenyl]-5-fluoropyridine?
The IUPAC name of 2-[5-tert-butyl-2-(5-fluoro-3-methyl-2-pyridin-2-ylphenyl)phenyl]-5-fluoropyridine (CID 155908899) is 2-[5-tert-butyl-2-(5-fluoro-3-methyl-2-pyridin-2-ylphenyl)phenyl]-5-fluoropyridine.
What is the SMILES notation for 2-[5-tert-butyl-2-(5-fluoro-3-methyl-2-pyridin-2-ylphenyl)phenyl]-5-fluoropyridine?
The canonical SMILES for 2-[5-tert-butyl-2-(5-fluoro-3-methyl-2-pyridin-2-ylphenyl)phenyl]-5-fluoropyridine is Cc1cc(F)cc(-c2ccc(C(C)(C)C)cc2-c2ccc(F)cn2)c1-c1ccccn1.
What is the InChIKey of 2-[5-tert-butyl-2-(5-fluoro-3-methyl-2-pyridin-2-ylphenyl)phenyl]-5-fluoropyridine?
The InChIKey is FJEFAWJTTUFPNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24F2N2/c1-17-13-20(29)15-23(26(17)25-7-5-6-12-30-25)21-10-8-18(27(2,3)4)14-22(21)24-11-9-19(28)16-31-24/h5-16H,1-4H3.
What are the key properties of 2-[5-tert-butyl-2-(5-fluoro-3-methyl-2-pyridin-2-ylphenyl)phenyl]-5-fluoropyridine?
2-[5-tert-butyl-2-(5-fluoro-3-methyl-2-pyridin-2-ylphenyl)phenyl]-5-fluoropyridine has a molecular weight of 414.50 g/mol, XLogP of 7.36, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-tert-butyl-2-(5-fluoro-3-methyl-2-pyridin-2-ylphenyl)phenyl]-5-fluoropyridine is sourced from PubChem (CID 155908899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).