6-methyl-4-phenylthieno[2,3-b]pyridine-5-carbonitrile

C15H10N2S — CID 69474841

IUPAC6-methyl-4-phenylthieno[2,3-b]pyridine-5-carbonitrile
SMILESCc1nc2sccc2c(-c2ccccc2)c1C#N
InChIInChI=1S/C15H10N2S/c1-10-13(9-16)14(11-5-3-2-4-6-11)12-7-8-18-15(12)17-10/h2-8H,1H3
InChIKeyPXYVGHDHOXNWKI-UHFFFAOYSA-N
MW250.33 g/mol
LogP4.14
Rot. Bonds1

About 6-methyl-4-phenylthieno[2,3-b]pyridine-5-carbonitrile

6-methyl-4-phenylthieno[2,3-b]pyridine-5-carbonitrile (PubChem CID 69474841) has the molecular formula C15H10N2S and a molecular weight of 250.33 g/mol. Its IUPAC name is 6-methyl-4-phenylthieno[2,3-b]pyridine-5-carbonitrile.

Molecular Properties

Compound Name6-methyl-4-phenylthieno[2,3-b]pyridine-5-carbonitrile
PubChem CID69474841
Molecular FormulaC15H10N2S
Molecular Weight250.33 g/mol
Exact Mass250.06
IUPAC Name6-methyl-4-phenylthieno[2,3-b]pyridine-5-carbonitrile
SMILESCc1nc2sccc2c(-c2ccccc2)c1C#N
InChIInChI=1S/C15H10N2S/c1-10-13(9-16)14(11-5-3-2-4-6-11)12-7-8-18-15(12)17-10/h2-8H,1H3
InChIKeyPXYVGHDHOXNWKI-UHFFFAOYSA-N
XLogP4.14
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.33
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-phenylthieno[2,3-b]pyridine-5-carbonitrile?
The IUPAC name of 6-methyl-4-phenylthieno[2,3-b]pyridine-5-carbonitrile (CID 69474841) is 6-methyl-4-phenylthieno[2,3-b]pyridine-5-carbonitrile.
What is the SMILES notation for 6-methyl-4-phenylthieno[2,3-b]pyridine-5-carbonitrile?
The canonical SMILES for 6-methyl-4-phenylthieno[2,3-b]pyridine-5-carbonitrile is Cc1nc2sccc2c(-c2ccccc2)c1C#N.
What is the InChIKey of 6-methyl-4-phenylthieno[2,3-b]pyridine-5-carbonitrile?
The InChIKey is PXYVGHDHOXNWKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2S/c1-10-13(9-16)14(11-5-3-2-4-6-11)12-7-8-18-15(12)17-10/h2-8H,1H3.
What are the key properties of 6-methyl-4-phenylthieno[2,3-b]pyridine-5-carbonitrile?
6-methyl-4-phenylthieno[2,3-b]pyridine-5-carbonitrile has a molecular weight of 250.33 g/mol, XLogP of 4.14, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-phenylthieno[2,3-b]pyridine-5-carbonitrile is sourced from PubChem (CID 69474841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).