4-(3-bromophenyl)-6-(4-hydroxyphenyl)-2-methylpyridine-3-carbonitrile

C19H13BrN2O — CID 135900366

IUPAC4-(3-bromophenyl)-6-(4-hydroxyphenyl)-2-methylpyridine-3-carbonitrile
SMILESCc1nc(-c2ccc(O)cc2)cc(-c2cccc(Br)c2)c1C#N
InChIInChI=1S/C19H13BrN2O/c1-12-18(11-21)17(14-3-2-4-15(20)9-14)10-19(22-12)13-5-7-16(23)8-6-13/h2-10,23H,1H3
InChIKeyXFEYLTHOCFBMBI-UHFFFAOYSA-N
MW365.23 g/mol
LogP5.06
Rot. Bonds2

About 4-(3-bromophenyl)-6-(4-hydroxyphenyl)-2-methylpyridine-3-carbonitrile

4-(3-bromophenyl)-6-(4-hydroxyphenyl)-2-methylpyridine-3-carbonitrile (PubChem CID 135900366) has the molecular formula C19H13BrN2O and a molecular weight of 365.23 g/mol. Its IUPAC name is 4-(3-bromophenyl)-6-(4-hydroxyphenyl)-2-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(3-bromophenyl)-6-(4-hydroxyphenyl)-2-methylpyridine-3-carbonitrile
PubChem CID135900366
Molecular FormulaC19H13BrN2O
Molecular Weight365.23 g/mol
Exact Mass364.02
IUPAC Name4-(3-bromophenyl)-6-(4-hydroxyphenyl)-2-methylpyridine-3-carbonitrile
SMILESCc1nc(-c2ccc(O)cc2)cc(-c2cccc(Br)c2)c1C#N
InChIInChI=1S/C19H13BrN2O/c1-12-18(11-21)17(14-3-2-4-15(20)9-14)10-19(22-12)13-5-7-16(23)8-6-13/h2-10,23H,1H3
InChIKeyXFEYLTHOCFBMBI-UHFFFAOYSA-N
XLogP5.06
TPSA56.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.23
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenyl)-6-(4-hydroxyphenyl)-2-methylpyridine-3-carbonitrile?
The IUPAC name of 4-(3-bromophenyl)-6-(4-hydroxyphenyl)-2-methylpyridine-3-carbonitrile (CID 135900366) is 4-(3-bromophenyl)-6-(4-hydroxyphenyl)-2-methylpyridine-3-carbonitrile.
What is the SMILES notation for 4-(3-bromophenyl)-6-(4-hydroxyphenyl)-2-methylpyridine-3-carbonitrile?
The canonical SMILES for 4-(3-bromophenyl)-6-(4-hydroxyphenyl)-2-methylpyridine-3-carbonitrile is Cc1nc(-c2ccc(O)cc2)cc(-c2cccc(Br)c2)c1C#N.
What is the InChIKey of 4-(3-bromophenyl)-6-(4-hydroxyphenyl)-2-methylpyridine-3-carbonitrile?
The InChIKey is XFEYLTHOCFBMBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13BrN2O/c1-12-18(11-21)17(14-3-2-4-15(20)9-14)10-19(22-12)13-5-7-16(23)8-6-13/h2-10,23H,1H3.
What are the key properties of 4-(3-bromophenyl)-6-(4-hydroxyphenyl)-2-methylpyridine-3-carbonitrile?
4-(3-bromophenyl)-6-(4-hydroxyphenyl)-2-methylpyridine-3-carbonitrile has a molecular weight of 365.23 g/mol, XLogP of 5.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenyl)-6-(4-hydroxyphenyl)-2-methylpyridine-3-carbonitrile is sourced from PubChem (CID 135900366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).