[4-[4-bromo-2-(3-methyl-2-pyridinyl)phenyl]-3-(5-fluoro-2-pyridinyl)phenyl]-trimethylsilane

C26H24BrFN2Si — CID 155908956

IUPAC[4-[4-bromo-2-(3-methyl-2-pyridinyl)phenyl]-3-(5-fluoro-2-pyridinyl)phenyl]-trimethylsilane
SMILESCc1cccnc1-c1cc(Br)ccc1-c1ccc([Si](C)(C)C)cc1-c1ccc(F)cn1
InChIInChI=1S/C26H24BrFN2Si/c1-17-6-5-13-29-26(17)24-14-18(27)7-10-22(24)21-11-9-20(31(2,3)4)15-23(21)25-12-8-19(28)16-30-25/h5-16H,1-4H3
InChIKeyVKPJDVXSBVVHBU-UHFFFAOYSA-N
MW491.48 g/mol
LogP7.23
Rot. Bonds4

About [4-[4-bromo-2-(3-methyl-2-pyridinyl)phenyl]-3-(5-fluoro-2-pyridinyl)phenyl]-trimethylsilane

[4-[4-bromo-2-(3-methyl-2-pyridinyl)phenyl]-3-(5-fluoro-2-pyridinyl)phenyl]-trimethylsilane (PubChem CID 155908956) has the molecular formula C26H24BrFN2Si and a molecular weight of 491.48 g/mol. Its IUPAC name is [4-[4-bromo-2-(3-methyl-2-pyridinyl)phenyl]-3-(5-fluoro-2-pyridinyl)phenyl]-trimethylsilane.

Molecular Properties

Compound Name[4-[4-bromo-2-(3-methyl-2-pyridinyl)phenyl]-3-(5-fluoro-2-pyridinyl)phenyl]-trimethylsilane
PubChem CID155908956
Molecular FormulaC26H24BrFN2Si
Molecular Weight491.48 g/mol
Exact Mass490.09
IUPAC Name[4-[4-bromo-2-(3-methyl-2-pyridinyl)phenyl]-3-(5-fluoro-2-pyridinyl)phenyl]-trimethylsilane
SMILESCc1cccnc1-c1cc(Br)ccc1-c1ccc([Si](C)(C)C)cc1-c1ccc(F)cn1
InChIInChI=1S/C26H24BrFN2Si/c1-17-6-5-13-29-26(17)24-14-18(27)7-10-22(24)21-11-9-20(31(2,3)4)15-23(21)25-12-8-19(28)16-30-25/h5-16H,1-4H3
InChIKeyVKPJDVXSBVVHBU-UHFFFAOYSA-N
XLogP7.23
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.48
LogP ≤ 57.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 6834
Dexbrompheniramine
CID 16960
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(-)-Brompheniramine
CID 6328079
1-Methyl-4-[9-bromo-11H-pyrrolo[2,1-b] [3]benzazepin-11-ylidene]piperidine
CID 13141182
(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
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

Frequently Asked Questions

What is the IUPAC name of [4-[4-bromo-2-(3-methyl-2-pyridinyl)phenyl]-3-(5-fluoro-2-pyridinyl)phenyl]-trimethylsilane?
The IUPAC name of [4-[4-bromo-2-(3-methyl-2-pyridinyl)phenyl]-3-(5-fluoro-2-pyridinyl)phenyl]-trimethylsilane (CID 155908956) is [4-[4-bromo-2-(3-methyl-2-pyridinyl)phenyl]-3-(5-fluoro-2-pyridinyl)phenyl]-trimethylsilane.
What is the SMILES notation for [4-[4-bromo-2-(3-methyl-2-pyridinyl)phenyl]-3-(5-fluoro-2-pyridinyl)phenyl]-trimethylsilane?
The canonical SMILES for [4-[4-bromo-2-(3-methyl-2-pyridinyl)phenyl]-3-(5-fluoro-2-pyridinyl)phenyl]-trimethylsilane is Cc1cccnc1-c1cc(Br)ccc1-c1ccc([Si](C)(C)C)cc1-c1ccc(F)cn1.
What is the InChIKey of [4-[4-bromo-2-(3-methyl-2-pyridinyl)phenyl]-3-(5-fluoro-2-pyridinyl)phenyl]-trimethylsilane?
The InChIKey is VKPJDVXSBVVHBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24BrFN2Si/c1-17-6-5-13-29-26(17)24-14-18(27)7-10-22(24)21-11-9-20(31(2,3)4)15-23(21)25-12-8-19(28)16-30-25/h5-16H,1-4H3.
What are the key properties of [4-[4-bromo-2-(3-methyl-2-pyridinyl)phenyl]-3-(5-fluoro-2-pyridinyl)phenyl]-trimethylsilane?
[4-[4-bromo-2-(3-methyl-2-pyridinyl)phenyl]-3-(5-fluoro-2-pyridinyl)phenyl]-trimethylsilane has a molecular weight of 491.48 g/mol, XLogP of 7.23, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-bromo-2-(3-methyl-2-pyridinyl)phenyl]-3-(5-fluoro-2-pyridinyl)phenyl]-trimethylsilane is sourced from PubChem (CID 155908956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).