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

C19H13BrN2O — CID 136622878

IUPAC6-(3-bromophenyl)-4-(4-hydroxyphenyl)-2-methylpyridine-3-carbonitrile
SMILESCc1nc(-c2cccc(Br)c2)cc(-c2ccc(O)cc2)c1C#N
InChIInChI=1S/C19H13BrN2O/c1-12-18(11-21)17(13-5-7-16(23)8-6-13)10-19(22-12)14-3-2-4-15(20)9-14/h2-10,23H,1H3
InChIKeyFAIADADWDMKOKA-UHFFFAOYSA-N
MW365.23 g/mol
LogP5.06
Rot. Bonds2

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

6-(3-bromophenyl)-4-(4-hydroxyphenyl)-2-methylpyridine-3-carbonitrile (PubChem CID 136622878) has the molecular formula C19H13BrN2O and a molecular weight of 365.23 g/mol. Its IUPAC name is 6-(3-bromophenyl)-4-(4-hydroxyphenyl)-2-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(3-bromophenyl)-4-(4-hydroxyphenyl)-2-methylpyridine-3-carbonitrile
PubChem CID136622878
Molecular FormulaC19H13BrN2O
Molecular Weight365.23 g/mol
Exact Mass364.02
IUPAC Name6-(3-bromophenyl)-4-(4-hydroxyphenyl)-2-methylpyridine-3-carbonitrile
SMILESCc1nc(-c2cccc(Br)c2)cc(-c2ccc(O)cc2)c1C#N
InChIInChI=1S/C19H13BrN2O/c1-12-18(11-21)17(13-5-7-16(23)8-6-13)10-19(22-12)14-3-2-4-15(20)9-14/h2-10,23H,1H3
InChIKeyFAIADADWDMKOKA-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 6-(3-bromophenyl)-4-(4-hydroxyphenyl)-2-methylpyridine-3-carbonitrile?
The IUPAC name of 6-(3-bromophenyl)-4-(4-hydroxyphenyl)-2-methylpyridine-3-carbonitrile (CID 136622878) is 6-(3-bromophenyl)-4-(4-hydroxyphenyl)-2-methylpyridine-3-carbonitrile.
What is the SMILES notation for 6-(3-bromophenyl)-4-(4-hydroxyphenyl)-2-methylpyridine-3-carbonitrile?
The canonical SMILES for 6-(3-bromophenyl)-4-(4-hydroxyphenyl)-2-methylpyridine-3-carbonitrile is Cc1nc(-c2cccc(Br)c2)cc(-c2ccc(O)cc2)c1C#N.
What is the InChIKey of 6-(3-bromophenyl)-4-(4-hydroxyphenyl)-2-methylpyridine-3-carbonitrile?
The InChIKey is FAIADADWDMKOKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13BrN2O/c1-12-18(11-21)17(13-5-7-16(23)8-6-13)10-19(22-12)14-3-2-4-15(20)9-14/h2-10,23H,1H3.
What are the key properties of 6-(3-bromophenyl)-4-(4-hydroxyphenyl)-2-methylpyridine-3-carbonitrile?
6-(3-bromophenyl)-4-(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 6-(3-bromophenyl)-4-(4-hydroxyphenyl)-2-methylpyridine-3-carbonitrile is sourced from PubChem (CID 136622878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).