2-(difluoromethyl)-3-methoxy-5-methyl-4-nitropyridine

C8H8F2N2O3 — CID 118814781

IUPAC2-(difluoromethyl)-3-methoxy-5-methyl-4-nitropyridine
SMILESCOc1c(C(F)F)ncc(C)c1[N+](=O)[O-]
InChIInChI=1S/C8H8F2N2O3/c1-4-3-11-5(8(9)10)7(15-2)6(4)12(13)14/h3,8H,1-2H3
InChIKeyMGTZHJOQOHHYFP-UHFFFAOYSA-N
MW218.16 g/mol
LogP2.24
Rot. Bonds3

About 2-(difluoromethyl)-3-methoxy-5-methyl-4-nitropyridine

2-(difluoromethyl)-3-methoxy-5-methyl-4-nitropyridine (PubChem CID 118814781) has the molecular formula C8H8F2N2O3 and a molecular weight of 218.16 g/mol. Its IUPAC name is 2-(difluoromethyl)-3-methoxy-5-methyl-4-nitropyridine.

Molecular Properties

Compound Name2-(difluoromethyl)-3-methoxy-5-methyl-4-nitropyridine
PubChem CID118814781
Molecular FormulaC8H8F2N2O3
Molecular Weight218.16 g/mol
Exact Mass218.05
IUPAC Name2-(difluoromethyl)-3-methoxy-5-methyl-4-nitropyridine
SMILESCOc1c(C(F)F)ncc(C)c1[N+](=O)[O-]
InChIInChI=1S/C8H8F2N2O3/c1-4-3-11-5(8(9)10)7(15-2)6(4)12(13)14/h3,8H,1-2H3
InChIKeyMGTZHJOQOHHYFP-UHFFFAOYSA-N
XLogP2.24
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.16
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

[6-(difluoromethyl)-4-methoxy-5-nitro-3-pyridinyl]methanol
CID 118809092
4-methoxy-2,5-dimethyl-3-nitropyridine
CID 131848990
2-(difluoromethyl)-3-methoxy-5-methylpyridine-4-carbaldehyde
CID 118854298
methyl 3-(difluoromethyl)-5-methyl-4-nitropyridine-2-carboxylate
CID 133099156
2-(difluoromethyl)-5-methoxy-3-nitropyridine
CID 118843391
5-bromo-2-(difluoromethyl)-3-methyl-4-nitropyridine
CID 130069132
2-bromo-3-(difluoromethyl)-5-methyl-4-nitropyridine
CID 119021197
2-(difluoromethyl)-4-methoxy-5-methyl-3-(trifluoromethoxy)pyridine
CID 134670213
2-(difluoromethyl)-5-methoxy-4-nitropyridine-3-carboxylic acid
CID 118831830
methyl 2-(difluoromethyl)-4-methoxy-5-nitropyridine-3-carboxylate
CID 133099332
[5-(difluoromethyl)-4-methoxy-3-nitro-2-pyridinyl]methanol
CID 133100021
2-[2-(difluoromethyl)-5-methoxy-3-nitro-4-pyridinyl]acetic acid
CID 133099309

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-3-methoxy-5-methyl-4-nitropyridine?
The IUPAC name of 2-(difluoromethyl)-3-methoxy-5-methyl-4-nitropyridine (CID 118814781) is 2-(difluoromethyl)-3-methoxy-5-methyl-4-nitropyridine.
What is the SMILES notation for 2-(difluoromethyl)-3-methoxy-5-methyl-4-nitropyridine?
The canonical SMILES for 2-(difluoromethyl)-3-methoxy-5-methyl-4-nitropyridine is COc1c(C(F)F)ncc(C)c1[N+](=O)[O-].
What is the InChIKey of 2-(difluoromethyl)-3-methoxy-5-methyl-4-nitropyridine?
The InChIKey is MGTZHJOQOHHYFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2N2O3/c1-4-3-11-5(8(9)10)7(15-2)6(4)12(13)14/h3,8H,1-2H3.
What are the key properties of 2-(difluoromethyl)-3-methoxy-5-methyl-4-nitropyridine?
2-(difluoromethyl)-3-methoxy-5-methyl-4-nitropyridine has a molecular weight of 218.16 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-3-methoxy-5-methyl-4-nitropyridine is sourced from PubChem (CID 118814781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).