6-(4-bromophenyl)-2-methylsulfinyl-4-phenylpyridine-3-carbonitrile

C19H13BrN2OS — CID 1316704

IUPAC6-(4-bromophenyl)-2-methylsulfinyl-4-phenylpyridine-3-carbonitrile
SMILESCS(=O)c1nc(-c2ccc(Br)cc2)cc(-c2ccccc2)c1C#N
InChIInChI=1S/C19H13BrN2OS/c1-24(23)19-17(12-21)16(13-5-3-2-4-6-13)11-18(22-19)14-7-9-15(20)10-8-14/h2-11H,1H3
InChIKeyGIJMFAXZRUVIID-UHFFFAOYSA-N
MW397.30 g/mol
LogP4.79
Rot. Bonds3

About 6-(4-bromophenyl)-2-methylsulfinyl-4-phenylpyridine-3-carbonitrile

6-(4-bromophenyl)-2-methylsulfinyl-4-phenylpyridine-3-carbonitrile (PubChem CID 1316704) has the molecular formula C19H13BrN2OS and a molecular weight of 397.30 g/mol. Its IUPAC name is 6-(4-bromophenyl)-2-methylsulfinyl-4-phenylpyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(4-bromophenyl)-2-methylsulfinyl-4-phenylpyridine-3-carbonitrile
PubChem CID1316704
Molecular FormulaC19H13BrN2OS
Molecular Weight397.30 g/mol
Exact Mass395.99
IUPAC Name6-(4-bromophenyl)-2-methylsulfinyl-4-phenylpyridine-3-carbonitrile
SMILESCS(=O)c1nc(-c2ccc(Br)cc2)cc(-c2ccccc2)c1C#N
InChIInChI=1S/C19H13BrN2OS/c1-24(23)19-17(12-21)16(13-5-3-2-4-6-13)11-18(22-19)14-7-9-15(20)10-8-14/h2-11H,1H3
InChIKeyGIJMFAXZRUVIID-UHFFFAOYSA-N
XLogP4.79
TPSA53.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.30
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-Methyl-2-(methylsulfanyl)-6-phenylpyridine-3-carbonitrile
CID 710280
4,6-Diphenyl-2-prop-2-ynylsulfanylpyridine-3-carbonitrile
CID 1725159
2-(Ethylsulfanyl)-4,6-diphenylnicotinonitrile
CID 1731287
2-[(3-Methylphenyl)sulfanyl]-6-phenylnicotinonitrile
CID 2765222
2-[(3-Bromophenyl)methylsulfanyl]-6-methylpyridine-3-carbonitrile
CID 845521
2-(Methylsulfonyl)-4,6-diphenylnicotinonitrile
CID 893661
2-[(4-Bromophenyl)methylsulfanyl]-6-thiophen-2-ylpyridine-3-carbonitrile
CID 1035851
6-Methyl-5-phenyl-2-(phenylthio)-3-pyridinecarbonitrile
CID 1476369
2-[(4-Methylphenyl)sulfanyl]-6-phenylnicotinonitrile
CID 2765221
6-(4-Bromophenyl)-2-{[2-(ethylsulfonyl)ethyl]thio}-4-phenylnicotinonitrile
CID 2194600
6-(4-Bromophenyl)-2-(methylsulfonyl)-4-phenylnicotinonitrile
CID 1317357
2-{[(Benzylsulfinyl)methyl]thio}-4,6-dimethylnicotinonitrile
CID 3236966

Frequently Asked Questions

What is the IUPAC name of 6-(4-bromophenyl)-2-methylsulfinyl-4-phenylpyridine-3-carbonitrile?
The IUPAC name of 6-(4-bromophenyl)-2-methylsulfinyl-4-phenylpyridine-3-carbonitrile (CID 1316704) is 6-(4-bromophenyl)-2-methylsulfinyl-4-phenylpyridine-3-carbonitrile.
What is the SMILES notation for 6-(4-bromophenyl)-2-methylsulfinyl-4-phenylpyridine-3-carbonitrile?
The canonical SMILES for 6-(4-bromophenyl)-2-methylsulfinyl-4-phenylpyridine-3-carbonitrile is CS(=O)c1nc(-c2ccc(Br)cc2)cc(-c2ccccc2)c1C#N.
What is the InChIKey of 6-(4-bromophenyl)-2-methylsulfinyl-4-phenylpyridine-3-carbonitrile?
The InChIKey is GIJMFAXZRUVIID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13BrN2OS/c1-24(23)19-17(12-21)16(13-5-3-2-4-6-13)11-18(22-19)14-7-9-15(20)10-8-14/h2-11H,1H3.
What are the key properties of 6-(4-bromophenyl)-2-methylsulfinyl-4-phenylpyridine-3-carbonitrile?
6-(4-bromophenyl)-2-methylsulfinyl-4-phenylpyridine-3-carbonitrile has a molecular weight of 397.30 g/mol, XLogP of 4.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromophenyl)-2-methylsulfinyl-4-phenylpyridine-3-carbonitrile is sourced from PubChem (CID 1316704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).