2,5-dimethyl-3-nitropyridine

C7H8N2O2 — CID 12626468

IUPAC2,5-dimethyl-3-nitropyridine
SMILESCc1cnc(C)c([N+](=O)[O-])c1
InChIInChI=1S/C7H8N2O2/c1-5-3-7(9(10)11)6(2)8-4-5/h3-4H,1-2H3
InChIKeyODTIWFKSSFPXNI-UHFFFAOYSA-N
MW152.15 g/mol
LogP1.61
Rot. Bonds1

About 2,5-dimethyl-3-nitropyridine

2,5-dimethyl-3-nitropyridine (PubChem CID 12626468) has the molecular formula C7H8N2O2 and a molecular weight of 152.15 g/mol. Its IUPAC name is 2,5-dimethyl-3-nitropyridine.

Molecular Properties

Compound Name2,5-dimethyl-3-nitropyridine
PubChem CID12626468
Molecular FormulaC7H8N2O2
Molecular Weight152.15 g/mol
Exact Mass152.06
IUPAC Name2,5-dimethyl-3-nitropyridine
SMILESCc1cnc(C)c([N+](=O)[O-])c1
InChIInChI=1S/C7H8N2O2/c1-5-3-7(9(10)11)6(2)8-4-5/h3-4H,1-2H3
InChIKeyODTIWFKSSFPXNI-UHFFFAOYSA-N
XLogP1.61
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.15
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-chloro-5-methyl-3-nitropyridine
CID 139082293
2-methyl-5-(6-methyl-5-nitro-3-pyridinyl)-3-nitropyridine
CID 66524275
5-ethynyl-2-methyl-3-nitropyridine
CID 58476611
5-methyl-3-nitropyridine-2-sulfonamide
CID 19378728
(5-methyl-3-nitro-2-pyridinyl)methanamine;hydrochloride
CID 162421679
5-methyl-3-nitro-2-propan-2-yloxypyridine
CID 124704568
5-methyl-3-nitro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 75486952
3-(6-methyl-5-nitro-3-pyridinyl)prop-2-ene-1-thiol
CID 169455515
(1S)-1-(5-methyl-3-nitro-2-pyridinyl)propan-1-amine
CID 130610698
(6-methyl-5-nitro-3-pyridinyl)urea
CID 175936167
5-methyl-3-nitro-2-phenoxypyridine
CID 143610713
N-cyclopropyl-5-methyl-3-nitropyridin-2-amine
CID 46738807

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-3-nitropyridine?
The IUPAC name of 2,5-dimethyl-3-nitropyridine (CID 12626468) is 2,5-dimethyl-3-nitropyridine.
What is the SMILES notation for 2,5-dimethyl-3-nitropyridine?
The canonical SMILES for 2,5-dimethyl-3-nitropyridine is Cc1cnc(C)c([N+](=O)[O-])c1.
What is the InChIKey of 2,5-dimethyl-3-nitropyridine?
The InChIKey is ODTIWFKSSFPXNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O2/c1-5-3-7(9(10)11)6(2)8-4-5/h3-4H,1-2H3.
What are the key properties of 2,5-dimethyl-3-nitropyridine?
2,5-dimethyl-3-nitropyridine has a molecular weight of 152.15 g/mol, XLogP of 1.61, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-3-nitropyridine is sourced from PubChem (CID 12626468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).