6-methyl-3-nitro-2,4-di(propan-2-yl)pyridine

C12H18N2O2 — CID 146312275

IUPAC6-methyl-3-nitro-2,4-di(propan-2-yl)pyridine
SMILESCc1cc(C(C)C)c([N+](=O)[O-])c(C(C)C)n1
InChIInChI=1S/C12H18N2O2/c1-7(2)10-6-9(5)13-11(8(3)4)12(10)14(15)16/h6-8H,1-5H3
InChIKeyYPOVKJHULNTTTL-UHFFFAOYSA-N
MW222.29 g/mol
LogP3.55
Rot. Bonds3

About 6-methyl-3-nitro-2,4-di(propan-2-yl)pyridine

6-methyl-3-nitro-2,4-di(propan-2-yl)pyridine (PubChem CID 146312275) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 6-methyl-3-nitro-2,4-di(propan-2-yl)pyridine.

Molecular Properties

Compound Name6-methyl-3-nitro-2,4-di(propan-2-yl)pyridine
PubChem CID146312275
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name6-methyl-3-nitro-2,4-di(propan-2-yl)pyridine
SMILESCc1cc(C(C)C)c([N+](=O)[O-])c(C(C)C)n1
InChIInChI=1S/C12H18N2O2/c1-7(2)10-6-9(5)13-11(8(3)4)12(10)14(15)16/h6-8H,1-5H3
InChIKeyYPOVKJHULNTTTL-UHFFFAOYSA-N
XLogP3.55
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 53.55
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

2,6-Dimethyl-3-nitropyridine
CID 84958
Pyridine, 2,4,6-trimethyl-, 1-oxide
CID 76904
2,4,6-Trimethyl-3-pyridinamine
CID 98846
1,2,6-Trimethyl-3-nitropyridinium iodide
CID 13791159
2,6-Dimethyl-4-(4-nitrophenyl)pyridine
CID 257968
4,6-Dimethyl-3-nitropyridin-2-amine
CID 298472
2,4-Dimethyl-3-nitropyridine
CID 13717481
4-(2-Fluoro-5-nitrophenyl)-2,6-dimethylpyridine
CID 13958724
3-Nitro-2-phenylpyridine
CID 2762787
6-Chloro-2,4-dimethyl-3-nitropyridine
CID 12744506
2-Chloro-4,6-dimethyl-3-nitropyridine
CID 21875578
2-Isopropenyl-4-methyl-3-nitropyridine
CID 67042928

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-nitro-2,4-di(propan-2-yl)pyridine?
The IUPAC name of 6-methyl-3-nitro-2,4-di(propan-2-yl)pyridine (CID 146312275) is 6-methyl-3-nitro-2,4-di(propan-2-yl)pyridine.
What is the SMILES notation for 6-methyl-3-nitro-2,4-di(propan-2-yl)pyridine?
The canonical SMILES for 6-methyl-3-nitro-2,4-di(propan-2-yl)pyridine is Cc1cc(C(C)C)c([N+](=O)[O-])c(C(C)C)n1.
What is the InChIKey of 6-methyl-3-nitro-2,4-di(propan-2-yl)pyridine?
The InChIKey is YPOVKJHULNTTTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-7(2)10-6-9(5)13-11(8(3)4)12(10)14(15)16/h6-8H,1-5H3.
What are the key properties of 6-methyl-3-nitro-2,4-di(propan-2-yl)pyridine?
6-methyl-3-nitro-2,4-di(propan-2-yl)pyridine has a molecular weight of 222.29 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-nitro-2,4-di(propan-2-yl)pyridine is sourced from PubChem (CID 146312275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).