5-methyl-2-[6-(5-methyl-4-nitro-2-pyridinyl)-2-pyridinyl]-4-nitropyridine

C17H13N5O4 — CID 59053136

IUPAC5-methyl-2-[6-(5-methyl-4-nitro-2-pyridinyl)-2-pyridinyl]-4-nitropyridine
SMILESCc1cnc(-c2cccc(-c3cc([N+](=O)[O-])c(C)cn3)n2)cc1[N+](=O)[O-]
InChIInChI=1S/C17H13N5O4/c1-10-8-18-14(6-16(10)21(23)24)12-4-3-5-13(20-12)15-7-17(22(25)26)11(2)9-19-15/h3-9H,1-2H3
InChIKeyAXXDFRMUQCWXCT-UHFFFAOYSA-N
MW351.32 g/mol
LogP3.64
Rot. Bonds4

About 5-methyl-2-[6-(5-methyl-4-nitro-2-pyridinyl)-2-pyridinyl]-4-nitropyridine

5-methyl-2-[6-(5-methyl-4-nitro-2-pyridinyl)-2-pyridinyl]-4-nitropyridine (PubChem CID 59053136) has the molecular formula C17H13N5O4 and a molecular weight of 351.32 g/mol. Its IUPAC name is 5-methyl-2-[6-(5-methyl-4-nitro-2-pyridinyl)-2-pyridinyl]-4-nitropyridine.

Molecular Properties

Compound Name5-methyl-2-[6-(5-methyl-4-nitro-2-pyridinyl)-2-pyridinyl]-4-nitropyridine
PubChem CID59053136
Molecular FormulaC17H13N5O4
Molecular Weight351.32 g/mol
Exact Mass351.10
IUPAC Name5-methyl-2-[6-(5-methyl-4-nitro-2-pyridinyl)-2-pyridinyl]-4-nitropyridine
SMILESCc1cnc(-c2cccc(-c3cc([N+](=O)[O-])c(C)cn3)n2)cc1[N+](=O)[O-]
InChIInChI=1S/C17H13N5O4/c1-10-8-18-14(6-16(10)21(23)24)12-4-3-5-13(20-12)15-7-17(22(25)26)11(2)9-19-15/h3-9H,1-2H3
InChIKeyAXXDFRMUQCWXCT-UHFFFAOYSA-N
XLogP3.64
TPSA124.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.32
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 5-methyl-2-[6-(5-methyl-4-nitro-2-pyridinyl)-2-pyridinyl]-4-nitropyridine 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

2-[(2,4-Dinitrophenyl)methyl]pyridine
CID 70854
3-Methyl-4-nitroquinoline N-oxide
CID 26446
Pyridine, 2-((4-nitrophenyl)methyl)-
CID 69292
2-(3-Nitrophenyl)pyridine
CID 459555
2-(4-Nitrophenyl)pyridine
CID 459556
6-Phenyl-8-(3-nitrophenyl)-1,7-naphthyridine
CID 10711281
2,5-Dipyridin-2-ylpyridine
CID 4580671
4-nitro-N-[[6-[(4-nitroanilino)methyl]-3-pyridinyl]methyl]aniline
CID 155536174
4-Nitro-2,2'-bipyridine-N-oxide
CID 3331282
1-[(2-Nitrophenyl)methyl]-4-(pyridin-2-ylmethyl)piperazine
CID 2902952
6-Allyl-8-(3-nitro-phenyl)-[1,7]naphthyridine
CID 10661230
8-(3-Nitro-phenyl)-6-pyridin-3-yl-[1,7]naphthyridine
CID 10664015

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[6-(5-methyl-4-nitro-2-pyridinyl)-2-pyridinyl]-4-nitropyridine?
The IUPAC name of 5-methyl-2-[6-(5-methyl-4-nitro-2-pyridinyl)-2-pyridinyl]-4-nitropyridine (CID 59053136) is 5-methyl-2-[6-(5-methyl-4-nitro-2-pyridinyl)-2-pyridinyl]-4-nitropyridine.
What is the SMILES notation for 5-methyl-2-[6-(5-methyl-4-nitro-2-pyridinyl)-2-pyridinyl]-4-nitropyridine?
The canonical SMILES for 5-methyl-2-[6-(5-methyl-4-nitro-2-pyridinyl)-2-pyridinyl]-4-nitropyridine is Cc1cnc(-c2cccc(-c3cc([N+](=O)[O-])c(C)cn3)n2)cc1[N+](=O)[O-].
What is the InChIKey of 5-methyl-2-[6-(5-methyl-4-nitro-2-pyridinyl)-2-pyridinyl]-4-nitropyridine?
The InChIKey is AXXDFRMUQCWXCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5O4/c1-10-8-18-14(6-16(10)21(23)24)12-4-3-5-13(20-12)15-7-17(22(25)26)11(2)9-19-15/h3-9H,1-2H3.
What are the key properties of 5-methyl-2-[6-(5-methyl-4-nitro-2-pyridinyl)-2-pyridinyl]-4-nitropyridine?
5-methyl-2-[6-(5-methyl-4-nitro-2-pyridinyl)-2-pyridinyl]-4-nitropyridine has a molecular weight of 351.32 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[6-(5-methyl-4-nitro-2-pyridinyl)-2-pyridinyl]-4-nitropyridine is sourced from PubChem (CID 59053136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).