2-(difluoromethoxy)-6-methoxy-3-nitropyridine

C7H6F2N2O4 — CID 153376192

IUPAC2-(difluoromethoxy)-6-methoxy-3-nitropyridine
SMILESCOc1ccc([N+](=O)[O-])c(OC(F)F)n1
InChIInChI=1S/C7H6F2N2O4/c1-14-5-3-2-4(11(12)13)6(10-5)15-7(8)9/h2-3,7H,1H3
InChIKeyPYYNXHNCUSMHNY-UHFFFAOYSA-N
MW220.13 g/mol
LogP1.60
Rot. Bonds4

About 2-(difluoromethoxy)-6-methoxy-3-nitropyridine

2-(difluoromethoxy)-6-methoxy-3-nitropyridine (PubChem CID 153376192) has the molecular formula C7H6F2N2O4 and a molecular weight of 220.13 g/mol. Its IUPAC name is 2-(difluoromethoxy)-6-methoxy-3-nitropyridine.

Molecular Properties

Compound Name2-(difluoromethoxy)-6-methoxy-3-nitropyridine
PubChem CID153376192
Molecular FormulaC7H6F2N2O4
Molecular Weight220.13 g/mol
Exact Mass220.03
IUPAC Name2-(difluoromethoxy)-6-methoxy-3-nitropyridine
SMILESCOc1ccc([N+](=O)[O-])c(OC(F)F)n1
InChIInChI=1S/C7H6F2N2O4/c1-14-5-3-2-4(11(12)13)6(10-5)15-7(8)9/h2-3,7H,1H3
InChIKeyPYYNXHNCUSMHNY-UHFFFAOYSA-N
XLogP1.60
TPSA74.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.13
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-methoxy-3-nitro-2-propan-2-ylpyridine
CID 146296357
CID 157299402
CID 157299402
4-[(6-methoxy-3-nitro-2-pyridinyl)oxy]-N-methylaniline
CID 115323350
2-(difluoromethoxy)-6-methoxy-3-(trifluoromethyl)pyridine
CID 165352768
6-methoxy-N,N-dimethyl-3-nitropyridin-2-amine
CID 53407025
[2-[(6-methoxy-3-nitro-2-pyridinyl)oxy]phenyl]methanol
CID 107713456
2-(2-bromo-4-methylphenoxy)-6-methoxy-3-nitropyridine
CID 115321316
5-fluoro-2-methoxy-8-nitroquinoline
CID 86241718
1-(6-methoxy-3-nitro-2-pyridinyl)-N,N-dimethylethanamine
CID 174432384
1-[2-[(6-methoxy-3-nitro-2-pyridinyl)oxy]phenyl]-N-methylmethanamine
CID 106485526
6-methoxy-3-nitro-2-pyrrol-1-ylpyridine
CID 10560813
(5-nitro-6-propan-2-yloxy-2-pyridinyl)hydrazine
CID 80911273

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-6-methoxy-3-nitropyridine?
The IUPAC name of 2-(difluoromethoxy)-6-methoxy-3-nitropyridine (CID 153376192) is 2-(difluoromethoxy)-6-methoxy-3-nitropyridine.
What is the SMILES notation for 2-(difluoromethoxy)-6-methoxy-3-nitropyridine?
The canonical SMILES for 2-(difluoromethoxy)-6-methoxy-3-nitropyridine is COc1ccc([N+](=O)[O-])c(OC(F)F)n1.
What is the InChIKey of 2-(difluoromethoxy)-6-methoxy-3-nitropyridine?
The InChIKey is PYYNXHNCUSMHNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F2N2O4/c1-14-5-3-2-4(11(12)13)6(10-5)15-7(8)9/h2-3,7H,1H3.
What are the key properties of 2-(difluoromethoxy)-6-methoxy-3-nitropyridine?
2-(difluoromethoxy)-6-methoxy-3-nitropyridine has a molecular weight of 220.13 g/mol, XLogP of 1.60, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-6-methoxy-3-nitropyridine is sourced from PubChem (CID 153376192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).