2-(3-bromophenyl)-5-methylpyridine;2-[3-(3-ethylphenyl)phenyl]-5-methylpyridine

C32H29BrN2 — CID 67424258

IUPAC2-(3-bromophenyl)-5-methylpyridine;2-[3-(3-ethylphenyl)phenyl]-5-methylpyridine
SMILESCCc1cccc(-c2cccc(-c3ccc(C)cn3)c2)c1.Cc1ccc(-c2cccc(Br)c2)nc1
InChIInChI=1S/C20H19N.C12H10BrN/c1-3-16-6-4-7-17(12-16)18-8-5-9-19(13-18)20-11-10-15(2)14-21-20;1-9-5-6-12(14-8-9)10-3-2-4-11(13)7-10/h4-14H,3H2,1-2H3;2-8H,1H3
InChIKeyWXHWHWWTJHIGPN-UHFFFAOYSA-N
MW521.50 g/mol
LogP9.11
Rot. Bonds4

About 2-(3-bromophenyl)-5-methylpyridine;2-[3-(3-ethylphenyl)phenyl]-5-methylpyridine

2-(3-bromophenyl)-5-methylpyridine;2-[3-(3-ethylphenyl)phenyl]-5-methylpyridine (PubChem CID 67424258) has the molecular formula C32H29BrN2 and a molecular weight of 521.50 g/mol. Its IUPAC name is 2-(3-bromophenyl)-5-methylpyridine;2-[3-(3-ethylphenyl)phenyl]-5-methylpyridine.

Molecular Properties

Compound Name2-(3-bromophenyl)-5-methylpyridine;2-[3-(3-ethylphenyl)phenyl]-5-methylpyridine
PubChem CID67424258
Molecular FormulaC32H29BrN2
Molecular Weight521.50 g/mol
Exact Mass520.15
IUPAC Name2-(3-bromophenyl)-5-methylpyridine;2-[3-(3-ethylphenyl)phenyl]-5-methylpyridine
SMILESCCc1cccc(-c2cccc(-c3ccc(C)cn3)c2)c1.Cc1ccc(-c2cccc(Br)c2)nc1
InChIInChI=1S/C20H19N.C12H10BrN/c1-3-16-6-4-7-17(12-16)18-8-5-9-19(13-18)20-11-10-15(2)14-21-20;1-9-5-6-12(14-8-9)10-3-2-4-11(13)7-10/h4-14H,3H2,1-2H3;2-8H,1H3
InChIKeyWXHWHWWTJHIGPN-UHFFFAOYSA-N
XLogP9.11
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.50
LogP ≤ 59.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-5-methylpyridine;2-[3-(3-ethylphenyl)phenyl]-5-methylpyridine?
The IUPAC name of 2-(3-bromophenyl)-5-methylpyridine;2-[3-(3-ethylphenyl)phenyl]-5-methylpyridine (CID 67424258) is 2-(3-bromophenyl)-5-methylpyridine;2-[3-(3-ethylphenyl)phenyl]-5-methylpyridine.
What is the SMILES notation for 2-(3-bromophenyl)-5-methylpyridine;2-[3-(3-ethylphenyl)phenyl]-5-methylpyridine?
The canonical SMILES for 2-(3-bromophenyl)-5-methylpyridine;2-[3-(3-ethylphenyl)phenyl]-5-methylpyridine is CCc1cccc(-c2cccc(-c3ccc(C)cn3)c2)c1.Cc1ccc(-c2cccc(Br)c2)nc1.
What is the InChIKey of 2-(3-bromophenyl)-5-methylpyridine;2-[3-(3-ethylphenyl)phenyl]-5-methylpyridine?
The InChIKey is WXHWHWWTJHIGPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N.C12H10BrN/c1-3-16-6-4-7-17(12-16)18-8-5-9-19(13-18)20-11-10-15(2)14-21-20;1-9-5-6-12(14-8-9)10-3-2-4-11(13)7-10/h4-14H,3H2,1-2H3;2-8H,1H3.
What are the key properties of 2-(3-bromophenyl)-5-methylpyridine;2-[3-(3-ethylphenyl)phenyl]-5-methylpyridine?
2-(3-bromophenyl)-5-methylpyridine;2-[3-(3-ethylphenyl)phenyl]-5-methylpyridine has a molecular weight of 521.50 g/mol, XLogP of 9.11, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-5-methylpyridine;2-[3-(3-ethylphenyl)phenyl]-5-methylpyridine is sourced from PubChem (CID 67424258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).