2-(2-methyl-1-benzothiophen-3-yl)-4-nitrosopyridine

C14H10N2OS — CID 129041879

IUPAC2-(2-methyl-1-benzothiophen-3-yl)-4-nitrosopyridine
SMILESCc1sc2ccccc2c1-c1cc(N=O)ccn1
InChIInChI=1S/C14H10N2OS/c1-9-14(11-4-2-3-5-13(11)18-9)12-8-10(16-17)6-7-15-12/h2-8H,1H3
InChIKeyDTOQGEXUGBDSNC-UHFFFAOYSA-N
MW254.31 g/mol
LogP4.67
Rot. Bonds2

About 2-(2-methyl-1-benzothiophen-3-yl)-4-nitrosopyridine

2-(2-methyl-1-benzothiophen-3-yl)-4-nitrosopyridine (PubChem CID 129041879) has the molecular formula C14H10N2OS and a molecular weight of 254.31 g/mol. Its IUPAC name is 2-(2-methyl-1-benzothiophen-3-yl)-4-nitrosopyridine.

Molecular Properties

Compound Name2-(2-methyl-1-benzothiophen-3-yl)-4-nitrosopyridine
PubChem CID129041879
Molecular FormulaC14H10N2OS
Molecular Weight254.31 g/mol
Exact Mass254.05
IUPAC Name2-(2-methyl-1-benzothiophen-3-yl)-4-nitrosopyridine
SMILESCc1sc2ccccc2c1-c1cc(N=O)ccn1
InChIInChI=1S/C14H10N2OS/c1-9-14(11-4-2-3-5-13(11)18-9)12-8-10(16-17)6-7-15-12/h2-8H,1H3
InChIKeyDTOQGEXUGBDSNC-UHFFFAOYSA-N
XLogP4.67
TPSA42.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1-benzothiophen-3-yl)-4-nitrosopyridine?
The IUPAC name of 2-(2-methyl-1-benzothiophen-3-yl)-4-nitrosopyridine (CID 129041879) is 2-(2-methyl-1-benzothiophen-3-yl)-4-nitrosopyridine.
What is the SMILES notation for 2-(2-methyl-1-benzothiophen-3-yl)-4-nitrosopyridine?
The canonical SMILES for 2-(2-methyl-1-benzothiophen-3-yl)-4-nitrosopyridine is Cc1sc2ccccc2c1-c1cc(N=O)ccn1.
What is the InChIKey of 2-(2-methyl-1-benzothiophen-3-yl)-4-nitrosopyridine?
The InChIKey is DTOQGEXUGBDSNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2OS/c1-9-14(11-4-2-3-5-13(11)18-9)12-8-10(16-17)6-7-15-12/h2-8H,1H3.
What are the key properties of 2-(2-methyl-1-benzothiophen-3-yl)-4-nitrosopyridine?
2-(2-methyl-1-benzothiophen-3-yl)-4-nitrosopyridine has a molecular weight of 254.31 g/mol, XLogP of 4.67, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1-benzothiophen-3-yl)-4-nitrosopyridine is sourced from PubChem (CID 129041879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).