2-(difluoromethyl)-4-methoxy-6-nitropyridine

C7H6F2N2O3 — CID 118803609

IUPAC2-(difluoromethyl)-4-methoxy-6-nitropyridine
SMILESCOc1cc(C(F)F)nc([N+](=O)[O-])c1
InChIInChI=1S/C7H6F2N2O3/c1-14-4-2-5(7(8)9)10-6(3-4)11(12)13/h2-3,7H,1H3
InChIKeyOLODQVYCEJJUPU-UHFFFAOYSA-N
MW204.13 g/mol
LogP1.94
Rot. Bonds3

About 2-(difluoromethyl)-4-methoxy-6-nitropyridine

2-(difluoromethyl)-4-methoxy-6-nitropyridine (PubChem CID 118803609) has the molecular formula C7H6F2N2O3 and a molecular weight of 204.13 g/mol. Its IUPAC name is 2-(difluoromethyl)-4-methoxy-6-nitropyridine.

Molecular Properties

Compound Name2-(difluoromethyl)-4-methoxy-6-nitropyridine
PubChem CID118803609
Molecular FormulaC7H6F2N2O3
Molecular Weight204.13 g/mol
Exact Mass204.03
IUPAC Name2-(difluoromethyl)-4-methoxy-6-nitropyridine
SMILESCOc1cc(C(F)F)nc([N+](=O)[O-])c1
InChIInChI=1S/C7H6F2N2O3/c1-14-4-2-5(7(8)9)10-6(3-4)11(12)13/h2-3,7H,1H3
InChIKeyOLODQVYCEJJUPU-UHFFFAOYSA-N
XLogP1.94
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 ≤ 51.94
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

3-bromo-4-(difluoromethyl)-2-methoxy-6-nitropyridine
CID 130068676
4-(difluoromethyl)-2-fluoro-3-methoxy-6-nitropyridine
CID 118813047
2-(difluoromethyl)-4-methoxy-6-nitropyridin-3-ol
CID 118826123
3-(difluoromethyl)-4-methoxy-6-nitropyridine-2-sulfonamide
CID 133087613
6-(difluoromethyl)-4-methoxypyridine-2-carbonitrile
CID 130095863
4-(difluoromethyl)-3-methoxy-6-nitropyridine-2-carbaldehyde
CID 118817249
6-(difluoromethyl)-3-methoxy-2-nitro-4-(trifluoromethyl)pyridine
CID 133099440
6-(difluoromethyl)-2-methoxy-4-nitro-3-(trifluoromethyl)pyridine
CID 133099375
6-(difluoromethyl)-4-methoxy-2-nitropyridine-3-carbaldehyde
CID 133099310
1-iodo-3,5-dinitrobenzene;1-iodo-3-methoxy-5-nitrobenzene
CID 162138503
2-bromo-4-(difluoromethoxy)-6-nitropyridine
CID 119003245
2-(difluoromethyl)-5-methoxy-3-nitropyridine
CID 118843391

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-4-methoxy-6-nitropyridine?
The IUPAC name of 2-(difluoromethyl)-4-methoxy-6-nitropyridine (CID 118803609) is 2-(difluoromethyl)-4-methoxy-6-nitropyridine.
What is the SMILES notation for 2-(difluoromethyl)-4-methoxy-6-nitropyridine?
The canonical SMILES for 2-(difluoromethyl)-4-methoxy-6-nitropyridine is COc1cc(C(F)F)nc([N+](=O)[O-])c1.
What is the InChIKey of 2-(difluoromethyl)-4-methoxy-6-nitropyridine?
The InChIKey is OLODQVYCEJJUPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F2N2O3/c1-14-4-2-5(7(8)9)10-6(3-4)11(12)13/h2-3,7H,1H3.
What are the key properties of 2-(difluoromethyl)-4-methoxy-6-nitropyridine?
2-(difluoromethyl)-4-methoxy-6-nitropyridine has a molecular weight of 204.13 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-4-methoxy-6-nitropyridine is sourced from PubChem (CID 118803609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).