2-(2,6-dimethylphenyl)-4-methyl-5-nitropyridine

C14H14N2O2 — CID 67152544

IUPAC2-(2,6-dimethylphenyl)-4-methyl-5-nitropyridine
SMILESCc1cc(-c2c(C)cccc2C)ncc1[N+](=O)[O-]
InChIInChI=1S/C14H14N2O2/c1-9-5-4-6-10(2)14(9)12-7-11(3)13(8-15-12)16(17)18/h4-8H,1-3H3
InChIKeyFVDAGUHWVPNDNL-UHFFFAOYSA-N
MW242.28 g/mol
LogP3.58
Rot. Bonds2

About 2-(2,6-dimethylphenyl)-4-methyl-5-nitropyridine

2-(2,6-dimethylphenyl)-4-methyl-5-nitropyridine (PubChem CID 67152544) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 2-(2,6-dimethylphenyl)-4-methyl-5-nitropyridine.

Molecular Properties

Compound Name2-(2,6-dimethylphenyl)-4-methyl-5-nitropyridine
PubChem CID67152544
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name2-(2,6-dimethylphenyl)-4-methyl-5-nitropyridine
SMILESCc1cc(-c2c(C)cccc2C)ncc1[N+](=O)[O-]
InChIInChI=1S/C14H14N2O2/c1-9-5-4-6-10(2)14(9)12-7-11(3)13(8-15-12)16(17)18/h4-8H,1-3H3
InChIKeyFVDAGUHWVPNDNL-UHFFFAOYSA-N
XLogP3.58
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 53.58
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-(2,3-difluorophenyl)-4-methyl-5-nitropyridine
CID 170837722
2-(2-chlorophenyl)-4-methyl-5-nitropyridine
CID 166436309
3-N-(4-methyl-5-nitro-2-pyridinyl)benzene-1,3-diamine
CID 79173832
4-methyl-5-nitropyridine-2-carbaldehyde
CID 14570994
4-methyl-5-nitro-2-(trifluoromethyl)pyridine
CID 53414275
1-(4-methyl-5-nitro-2-pyridinyl)ethanone
CID 59855834
2-(difluoromethoxy)-4-methyl-5-nitropyridine
CID 171503638
5-(2-methyl-6-nitrophenyl)-3-(2,4,6-trimethylphenyl)-1,2-oxazole
CID 71497917
4-N-(4-methyl-5-nitro-2-pyridinyl)benzene-1,4-diamine
CID 79173729
1-methyl-3-nitro-2-phenylbenzene
CID 12733092
(1S)-1-(4-methyl-5-nitro-2-pyridinyl)propan-1-amine
CID 130624745
2-(2,3-difluorophenoxy)-4-methyl-5-nitropyridine
CID 133329231

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylphenyl)-4-methyl-5-nitropyridine?
The IUPAC name of 2-(2,6-dimethylphenyl)-4-methyl-5-nitropyridine (CID 67152544) is 2-(2,6-dimethylphenyl)-4-methyl-5-nitropyridine.
What is the SMILES notation for 2-(2,6-dimethylphenyl)-4-methyl-5-nitropyridine?
The canonical SMILES for 2-(2,6-dimethylphenyl)-4-methyl-5-nitropyridine is Cc1cc(-c2c(C)cccc2C)ncc1[N+](=O)[O-].
What is the InChIKey of 2-(2,6-dimethylphenyl)-4-methyl-5-nitropyridine?
The InChIKey is FVDAGUHWVPNDNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-9-5-4-6-10(2)14(9)12-7-11(3)13(8-15-12)16(17)18/h4-8H,1-3H3.
What are the key properties of 2-(2,6-dimethylphenyl)-4-methyl-5-nitropyridine?
2-(2,6-dimethylphenyl)-4-methyl-5-nitropyridine has a molecular weight of 242.28 g/mol, XLogP of 3.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylphenyl)-4-methyl-5-nitropyridine is sourced from PubChem (CID 67152544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).