2-(difluoromethoxy)-4-methyl-5-nitropyridine

C7H6F2N2O3 — CID 171503638

IUPAC2-(difluoromethoxy)-4-methyl-5-nitropyridine
SMILESCc1cc(OC(F)F)ncc1[N+](=O)[O-]
InChIInChI=1S/C7H6F2N2O3/c1-4-2-6(14-7(8)9)10-3-5(4)11(12)13/h2-3,7H,1H3
InChIKeyDCYDZAZEQYAKGJ-UHFFFAOYSA-N
MW204.13 g/mol
LogP1.90
Rot. Bonds3

About 2-(difluoromethoxy)-4-methyl-5-nitropyridine

2-(difluoromethoxy)-4-methyl-5-nitropyridine (PubChem CID 171503638) has the molecular formula C7H6F2N2O3 and a molecular weight of 204.13 g/mol. Its IUPAC name is 2-(difluoromethoxy)-4-methyl-5-nitropyridine.

Molecular Properties

Compound Name2-(difluoromethoxy)-4-methyl-5-nitropyridine
PubChem CID171503638
Molecular FormulaC7H6F2N2O3
Molecular Weight204.13 g/mol
Exact Mass204.03
IUPAC Name2-(difluoromethoxy)-4-methyl-5-nitropyridine
SMILESCc1cc(OC(F)F)ncc1[N+](=O)[O-]
InChIInChI=1S/C7H6F2N2O3/c1-4-2-6(14-7(8)9)10-3-5(4)11(12)13/h2-3,7H,1H3
InChIKeyDCYDZAZEQYAKGJ-UHFFFAOYSA-N
XLogP1.90
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.13
LogP ≤ 51.90
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

4-bromo-2-(difluoromethoxy)-5-nitropyridine
CID 118800660
4-methyl-5-nitro-2-(4-propan-2-yloxyphenoxy)pyridine
CID 133339789
(4-methyl-5-nitro-2-pyridinyl) trifluoromethanesulfonate
CID 86079677
2-(2,3-difluorophenoxy)-4-methyl-5-nitropyridine
CID 133329231
4-methyl-5-nitro-2-(trifluoromethyl)pyridine
CID 53414275
1-[(4-methyl-5-nitro-2-pyridinyl)oxymethyl]cyclopentan-1-amine
CID 79177036
2-(difluoromethoxy)-4-nitropyridine
CID 130836809
4-fluoro-2-[(4-methyl-5-nitro-2-pyridinyl)oxy]benzoic acid
CID 107016475
4-methyl-5-nitropyridine-2-carbaldehyde
CID 14570994
2-(2,6-dimethylphenyl)-4-methyl-5-nitropyridine
CID 67152544
N,N-dimethyl-4-[(4-methyl-5-nitro-2-pyridinyl)oxy]benzenesulfonamide
CID 133329243
2-methyl-4-[(4-methyl-5-nitro-2-pyridinyl)oxy]benzoic acid
CID 107672545

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-4-methyl-5-nitropyridine?
The IUPAC name of 2-(difluoromethoxy)-4-methyl-5-nitropyridine (CID 171503638) is 2-(difluoromethoxy)-4-methyl-5-nitropyridine.
What is the SMILES notation for 2-(difluoromethoxy)-4-methyl-5-nitropyridine?
The canonical SMILES for 2-(difluoromethoxy)-4-methyl-5-nitropyridine is Cc1cc(OC(F)F)ncc1[N+](=O)[O-].
What is the InChIKey of 2-(difluoromethoxy)-4-methyl-5-nitropyridine?
The InChIKey is DCYDZAZEQYAKGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F2N2O3/c1-4-2-6(14-7(8)9)10-3-5(4)11(12)13/h2-3,7H,1H3.
What are the key properties of 2-(difluoromethoxy)-4-methyl-5-nitropyridine?
2-(difluoromethoxy)-4-methyl-5-nitropyridine has a molecular weight of 204.13 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-4-methyl-5-nitropyridine is sourced from PubChem (CID 171503638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).