2-methyl-5-(6-methyl-5-nitro-3-pyridinyl)-3-nitropyridine

C12H10N4O4 — CID 66524275

IUPAC2-methyl-5-(6-methyl-5-nitro-3-pyridinyl)-3-nitropyridine
SMILESCc1ncc(-c2cnc(C)c([N+](=O)[O-])c2)cc1[N+](=O)[O-]
InChIInChI=1S/C12H10N4O4/c1-7-11(15(17)18)3-9(5-13-7)10-4-12(16(19)20)8(2)14-6-10/h3-6H,1-2H3
InChIKeyXMCQHCBGDAIUDO-UHFFFAOYSA-N
MW274.24 g/mol
LogP2.58
Rot. Bonds3

About 2-methyl-5-(6-methyl-5-nitro-3-pyridinyl)-3-nitropyridine

2-methyl-5-(6-methyl-5-nitro-3-pyridinyl)-3-nitropyridine (PubChem CID 66524275) has the molecular formula C12H10N4O4 and a molecular weight of 274.24 g/mol. Its IUPAC name is 2-methyl-5-(6-methyl-5-nitro-3-pyridinyl)-3-nitropyridine.

Molecular Properties

Compound Name2-methyl-5-(6-methyl-5-nitro-3-pyridinyl)-3-nitropyridine
PubChem CID66524275
Molecular FormulaC12H10N4O4
Molecular Weight274.24 g/mol
Exact Mass274.07
IUPAC Name2-methyl-5-(6-methyl-5-nitro-3-pyridinyl)-3-nitropyridine
SMILESCc1ncc(-c2cnc(C)c([N+](=O)[O-])c2)cc1[N+](=O)[O-]
InChIInChI=1S/C12H10N4O4/c1-7-11(15(17)18)3-9(5-13-7)10-4-12(16(19)20)8(2)14-6-10/h3-6H,1-2H3
InChIKeyXMCQHCBGDAIUDO-UHFFFAOYSA-N
XLogP2.58
TPSA112.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.24
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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Related Compounds

2,5-dimethyl-3-nitropyridine
CID 12626468
5-ethynyl-2-methyl-3-nitropyridine
CID 58476611
(6-methyl-5-nitro-3-pyridinyl)urea
CID 175936167
3-(6-methyl-5-nitro-3-pyridinyl)prop-2-ene-1-thiol
CID 169455515
5-(4-bromobut-1-enyl)-2-methyl-3-nitropyridine
CID 170497793
2-chloro-5-methyl-3-nitropyridine
CID 139082293
2-methyl-3-nitro-5-(piperidin-4-ylidenemethyl)pyridine
CID 134589257
4-(6-methyl-5-nitro-3-pyridinyl)but-3-enoic acid
CID 170483903
N-methyl-4-(6-methyl-5-nitro-3-pyridinyl)but-3-en-1-amine
CID 170496101
5-(2-methylcyclopenten-1-yl)-3-nitropyridin-2-amine
CID 138978655
5-(6-methoxy-3-pyridinyl)-3-nitropyridin-2-amine
CID 11357014
methyl-[4-(6-methyl-5-nitro-3-pyridinyl)but-3-ynyl]borinic acid
CID 58476550

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(6-methyl-5-nitro-3-pyridinyl)-3-nitropyridine?
The IUPAC name of 2-methyl-5-(6-methyl-5-nitro-3-pyridinyl)-3-nitropyridine (CID 66524275) is 2-methyl-5-(6-methyl-5-nitro-3-pyridinyl)-3-nitropyridine.
What is the SMILES notation for 2-methyl-5-(6-methyl-5-nitro-3-pyridinyl)-3-nitropyridine?
The canonical SMILES for 2-methyl-5-(6-methyl-5-nitro-3-pyridinyl)-3-nitropyridine is Cc1ncc(-c2cnc(C)c([N+](=O)[O-])c2)cc1[N+](=O)[O-].
What is the InChIKey of 2-methyl-5-(6-methyl-5-nitro-3-pyridinyl)-3-nitropyridine?
The InChIKey is XMCQHCBGDAIUDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O4/c1-7-11(15(17)18)3-9(5-13-7)10-4-12(16(19)20)8(2)14-6-10/h3-6H,1-2H3.
What are the key properties of 2-methyl-5-(6-methyl-5-nitro-3-pyridinyl)-3-nitropyridine?
2-methyl-5-(6-methyl-5-nitro-3-pyridinyl)-3-nitropyridine has a molecular weight of 274.24 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(6-methyl-5-nitro-3-pyridinyl)-3-nitropyridine is sourced from PubChem (CID 66524275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).