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

C14H10N2O2S — CID 129042017

IUPAC2-(2-methyl-1-benzothiophen-3-yl)-4-nitropyridine
SMILESCc1sc2ccccc2c1-c1cc([N+](=O)[O-])ccn1
InChIInChI=1S/C14H10N2O2S/c1-9-14(11-4-2-3-5-13(11)19-9)12-8-10(16(17)18)6-7-15-12/h2-8H,1H3
InChIKeyRHGFJXJVEYQKKT-UHFFFAOYSA-N
MW270.31 g/mol
LogP4.18
Rot. Bonds2

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

2-(2-methyl-1-benzothiophen-3-yl)-4-nitropyridine (PubChem CID 129042017) has the molecular formula C14H10N2O2S and a molecular weight of 270.31 g/mol. Its IUPAC name is 2-(2-methyl-1-benzothiophen-3-yl)-4-nitropyridine.

Molecular Properties

Compound Name2-(2-methyl-1-benzothiophen-3-yl)-4-nitropyridine
PubChem CID129042017
Molecular FormulaC14H10N2O2S
Molecular Weight270.31 g/mol
Exact Mass270.05
IUPAC Name2-(2-methyl-1-benzothiophen-3-yl)-4-nitropyridine
SMILESCc1sc2ccccc2c1-c1cc([N+](=O)[O-])ccn1
InChIInChI=1S/C14H10N2O2S/c1-9-14(11-4-2-3-5-13(11)19-9)12-8-10(16(17)18)6-7-15-12/h2-8H,1H3
InChIKeyRHGFJXJVEYQKKT-UHFFFAOYSA-N
XLogP4.18
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1-benzothiophen-3-yl)-4-nitropyridine?
The IUPAC name of 2-(2-methyl-1-benzothiophen-3-yl)-4-nitropyridine (CID 129042017) is 2-(2-methyl-1-benzothiophen-3-yl)-4-nitropyridine.
What is the SMILES notation for 2-(2-methyl-1-benzothiophen-3-yl)-4-nitropyridine?
The canonical SMILES for 2-(2-methyl-1-benzothiophen-3-yl)-4-nitropyridine is Cc1sc2ccccc2c1-c1cc([N+](=O)[O-])ccn1.
What is the InChIKey of 2-(2-methyl-1-benzothiophen-3-yl)-4-nitropyridine?
The InChIKey is RHGFJXJVEYQKKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O2S/c1-9-14(11-4-2-3-5-13(11)19-9)12-8-10(16(17)18)6-7-15-12/h2-8H,1H3.
What are the key properties of 2-(2-methyl-1-benzothiophen-3-yl)-4-nitropyridine?
2-(2-methyl-1-benzothiophen-3-yl)-4-nitropyridine has a molecular weight of 270.31 g/mol, XLogP of 4.18, 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-nitropyridine is sourced from PubChem (CID 129042017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).