4-[5-methyl-4-[(3-nitrophenyl)methyl]thiophen-2-yl]pyridine

C17H14N2O2S — CID 151966774

IUPAC4-[5-methyl-4-[(3-nitrophenyl)methyl]thiophen-2-yl]pyridine
SMILESCc1sc(-c2ccncc2)cc1Cc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C17H14N2O2S/c1-12-15(9-13-3-2-4-16(10-13)19(20)21)11-17(22-12)14-5-7-18-8-6-14/h2-8,10-11H,9H2,1H3
InChIKeyTZVFBDCNNHXLTN-UHFFFAOYSA-N
MW310.38 g/mol
LogP4.62
Rot. Bonds4

About 4-[5-methyl-4-[(3-nitrophenyl)methyl]thiophen-2-yl]pyridine

4-[5-methyl-4-[(3-nitrophenyl)methyl]thiophen-2-yl]pyridine (PubChem CID 151966774) has the molecular formula C17H14N2O2S and a molecular weight of 310.38 g/mol. Its IUPAC name is 4-[5-methyl-4-[(3-nitrophenyl)methyl]thiophen-2-yl]pyridine.

Molecular Properties

Compound Name4-[5-methyl-4-[(3-nitrophenyl)methyl]thiophen-2-yl]pyridine
PubChem CID151966774
Molecular FormulaC17H14N2O2S
Molecular Weight310.38 g/mol
Exact Mass310.08
IUPAC Name4-[5-methyl-4-[(3-nitrophenyl)methyl]thiophen-2-yl]pyridine
SMILESCc1sc(-c2ccncc2)cc1Cc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C17H14N2O2S/c1-12-15(9-13-3-2-4-16(10-13)19(20)21)11-17(22-12)14-5-7-18-8-6-14/h2-8,10-11H,9H2,1H3
InChIKeyTZVFBDCNNHXLTN-UHFFFAOYSA-N
XLogP4.62
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 54.62
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'}

Analyze 4-[5-methyl-4-[(3-nitrophenyl)methyl]thiophen-2-yl]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[5-methyl-4-[(3-nitrophenyl)methyl]thiophen-2-yl]-1,2-oxazole
CID 174408938
1-methyl-2-[(3-nitrophenyl)methyl]benzene
CID 174546856
5,6-dimethyl-N-[(3-nitrophenyl)methyl]-2-pyridin-4-ylthieno[2,3-d]pyrimidin-4-amine
CID 18460299
1-methyl-3-[(3-nitrophenyl)methyl]benzene
CID 18724473
4-[3-(3-nitrophenyl)propyl]pyridine;hydroiodide
CID 174146036
nitric acid;4-(3-nitrophenyl)pyridine
CID 71334650
1,1-dimethoxyethane;4-(3-nitrophenyl)pyridine
CID 139939427
2-(3-nitrophenyl)-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)acetamide
CID 75422980
4-[4-(2-methylphenyl)-5-[(3-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine
CID 2595332
2-chloro-5-methyl-4-[(3-nitrophenyl)methyl]pyrimidine
CID 161470493
N-methyl-1-(3-nitrophenyl)methanamine;hydrochloride
CID 522947
1-[(3-chlorophenyl)methyl]-3-nitrobenzene
CID 57038379

Frequently Asked Questions

What is the IUPAC name of 4-[5-methyl-4-[(3-nitrophenyl)methyl]thiophen-2-yl]pyridine?
The IUPAC name of 4-[5-methyl-4-[(3-nitrophenyl)methyl]thiophen-2-yl]pyridine (CID 151966774) is 4-[5-methyl-4-[(3-nitrophenyl)methyl]thiophen-2-yl]pyridine.
What is the SMILES notation for 4-[5-methyl-4-[(3-nitrophenyl)methyl]thiophen-2-yl]pyridine?
The canonical SMILES for 4-[5-methyl-4-[(3-nitrophenyl)methyl]thiophen-2-yl]pyridine is Cc1sc(-c2ccncc2)cc1Cc1cccc([N+](=O)[O-])c1.
What is the InChIKey of 4-[5-methyl-4-[(3-nitrophenyl)methyl]thiophen-2-yl]pyridine?
The InChIKey is TZVFBDCNNHXLTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2S/c1-12-15(9-13-3-2-4-16(10-13)19(20)21)11-17(22-12)14-5-7-18-8-6-14/h2-8,10-11H,9H2,1H3.
What are the key properties of 4-[5-methyl-4-[(3-nitrophenyl)methyl]thiophen-2-yl]pyridine?
4-[5-methyl-4-[(3-nitrophenyl)methyl]thiophen-2-yl]pyridine has a molecular weight of 310.38 g/mol, XLogP of 4.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-methyl-4-[(3-nitrophenyl)methyl]thiophen-2-yl]pyridine is sourced from PubChem (CID 151966774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).