2-[5-bromo-2-[4-tert-butyl-2-(5-fluoro-2-pyridinyl)phenyl]phenyl]-3-methylpyridine

C27H24BrFN2 — CID 155908957

IUPAC2-[5-bromo-2-[4-tert-butyl-2-(5-fluoro-2-pyridinyl)phenyl]phenyl]-3-methylpyridine
SMILESCc1cccnc1-c1cc(Br)ccc1-c1ccc(C(C)(C)C)cc1-c1ccc(F)cn1
InChIInChI=1S/C27H24BrFN2/c1-17-6-5-13-30-26(17)24-15-19(28)8-11-22(24)21-10-7-18(27(2,3)4)14-23(21)25-12-9-20(29)16-31-25/h5-16H,1-4H3
InChIKeyAHHFFMVABTUKDJ-UHFFFAOYSA-N
MW475.41 g/mol
LogP7.99
Rot. Bonds3

About 2-[5-bromo-2-[4-tert-butyl-2-(5-fluoro-2-pyridinyl)phenyl]phenyl]-3-methylpyridine

2-[5-bromo-2-[4-tert-butyl-2-(5-fluoro-2-pyridinyl)phenyl]phenyl]-3-methylpyridine (PubChem CID 155908957) has the molecular formula C27H24BrFN2 and a molecular weight of 475.41 g/mol. Its IUPAC name is 2-[5-bromo-2-[4-tert-butyl-2-(5-fluoro-2-pyridinyl)phenyl]phenyl]-3-methylpyridine.

Molecular Properties

Compound Name2-[5-bromo-2-[4-tert-butyl-2-(5-fluoro-2-pyridinyl)phenyl]phenyl]-3-methylpyridine
PubChem CID155908957
Molecular FormulaC27H24BrFN2
Molecular Weight475.41 g/mol
Exact Mass474.11
IUPAC Name2-[5-bromo-2-[4-tert-butyl-2-(5-fluoro-2-pyridinyl)phenyl]phenyl]-3-methylpyridine
SMILESCc1cccnc1-c1cc(Br)ccc1-c1ccc(C(C)(C)C)cc1-c1ccc(F)cn1
InChIInChI=1S/C27H24BrFN2/c1-17-6-5-13-30-26(17)24-15-19(28)8-11-22(24)21-10-7-18(27(2,3)4)14-23(21)25-12-9-20(29)16-31-25/h5-16H,1-4H3
InChIKeyAHHFFMVABTUKDJ-UHFFFAOYSA-N
XLogP7.99
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.41
LogP ≤ 57.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(6-Bromonaphthalen-2-yl)pyridine
CID 11558270
(NE)-N-[3-(4-bromophenyl)-3-(2-methylphenyl)-1-pyridin-4-ylpropylidene]hydroxylamine
CID 136166933
(NE)-N-[3-(4-bromophenyl)-3-(2-methylphenyl)-1-(2-methyl-4-pyridinyl)propylidene]hydroxylamine
CID 136167006
(E)-4-(3-(4-bromostyryl)-5-fluorophenyl)pyridine
CID 121481820
4'-(4-Bromophenyl)-2,2':6',2''-terpyridine
CID 10762837
6-Bromo-1-methylisoquinoline
CID 74889121
2-(4-Bromophenyl)-5-cyclohexylpyridine
CID 767868
6-Bromo-3-methylisoquinoline
CID 20616783
7-Bromo-3-methylisoquinoline
CID 20616792
2-(10-Bromoanthracen-9-yl)pyridine
CID 138593628
2-[4-Fluoro-2-(5-fluoro-2-pyridin-2-ylphenyl)phenyl]pyridine
CID 44475470
2-(4,6-Difluorophenyl)-4-mesitylpyridine
CID 102429109

Frequently Asked Questions

What is the IUPAC name of 2-[5-bromo-2-[4-tert-butyl-2-(5-fluoro-2-pyridinyl)phenyl]phenyl]-3-methylpyridine?
The IUPAC name of 2-[5-bromo-2-[4-tert-butyl-2-(5-fluoro-2-pyridinyl)phenyl]phenyl]-3-methylpyridine (CID 155908957) is 2-[5-bromo-2-[4-tert-butyl-2-(5-fluoro-2-pyridinyl)phenyl]phenyl]-3-methylpyridine.
What is the SMILES notation for 2-[5-bromo-2-[4-tert-butyl-2-(5-fluoro-2-pyridinyl)phenyl]phenyl]-3-methylpyridine?
The canonical SMILES for 2-[5-bromo-2-[4-tert-butyl-2-(5-fluoro-2-pyridinyl)phenyl]phenyl]-3-methylpyridine is Cc1cccnc1-c1cc(Br)ccc1-c1ccc(C(C)(C)C)cc1-c1ccc(F)cn1.
What is the InChIKey of 2-[5-bromo-2-[4-tert-butyl-2-(5-fluoro-2-pyridinyl)phenyl]phenyl]-3-methylpyridine?
The InChIKey is AHHFFMVABTUKDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24BrFN2/c1-17-6-5-13-30-26(17)24-15-19(28)8-11-22(24)21-10-7-18(27(2,3)4)14-23(21)25-12-9-20(29)16-31-25/h5-16H,1-4H3.
What are the key properties of 2-[5-bromo-2-[4-tert-butyl-2-(5-fluoro-2-pyridinyl)phenyl]phenyl]-3-methylpyridine?
2-[5-bromo-2-[4-tert-butyl-2-(5-fluoro-2-pyridinyl)phenyl]phenyl]-3-methylpyridine has a molecular weight of 475.41 g/mol, XLogP of 7.99, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-bromo-2-[4-tert-butyl-2-(5-fluoro-2-pyridinyl)phenyl]phenyl]-3-methylpyridine is sourced from PubChem (CID 155908957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).