2-(difluoromethyl)-6-fluoro-3-methoxy-5-nitropyridine

C7H5F3N2O3 — CID 118837551

IUPAC2-(difluoromethyl)-6-fluoro-3-methoxy-5-nitropyridine
SMILESCOc1cc([N+](=O)[O-])c(F)nc1C(F)F
InChIInChI=1S/C7H5F3N2O3/c1-15-4-2-3(12(13)14)7(10)11-5(4)6(8)9/h2,6H,1H3
InChIKeyVZFQCXZEVSMXKI-UHFFFAOYSA-N
MW222.12 g/mol
LogP2.08
Rot. Bonds3

About 2-(difluoromethyl)-6-fluoro-3-methoxy-5-nitropyridine

2-(difluoromethyl)-6-fluoro-3-methoxy-5-nitropyridine (PubChem CID 118837551) has the molecular formula C7H5F3N2O3 and a molecular weight of 222.12 g/mol. Its IUPAC name is 2-(difluoromethyl)-6-fluoro-3-methoxy-5-nitropyridine.

Molecular Properties

Compound Name2-(difluoromethyl)-6-fluoro-3-methoxy-5-nitropyridine
PubChem CID118837551
Molecular FormulaC7H5F3N2O3
Molecular Weight222.12 g/mol
Exact Mass222.03
IUPAC Name2-(difluoromethyl)-6-fluoro-3-methoxy-5-nitropyridine
SMILESCOc1cc([N+](=O)[O-])c(F)nc1C(F)F
InChIInChI=1S/C7H5F3N2O3/c1-15-4-2-3(12(13)14)7(10)11-5(4)6(8)9/h2,6H,1H3
InChIKeyVZFQCXZEVSMXKI-UHFFFAOYSA-N
XLogP2.08
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.12
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-(difluoromethyl)-5-methoxy-3-nitropyridin-2-amine
CID 119002952
6-(difluoromethyl)-5-methoxy-3-nitropyridine-2-sulfonyl chloride
CID 118843482
2-bromo-6-(difluoromethyl)-3-methoxy-5-nitropyridine
CID 119020021
2-[6-(difluoromethyl)-5-methoxy-3-nitro-2-pyridinyl]acetonitrile
CID 118848485
methyl 6-(difluoromethyl)-3-methoxy-5-nitropyridine-2-carboxylate
CID 133098599
2-(difluoromethyl)-6-fluoro-5-iodo-3-nitropyridine
CID 118854544
5-bromo-2-(difluoromethyl)-6-fluoro-3-nitropyridine
CID 130109443
5-(difluoromethyl)-2-fluoro-6-methyl-3-nitropyridine
CID 130080884
2-(difluoromethyl)-5-methoxy-3-nitropyridine
CID 118843391
2-(difluoromethyl)-5-methoxy-6-nitropyridine-3-carboxylic acid
CID 118826363
2-(difluoromethyl)-4-methoxy-6-nitropyridin-3-ol
CID 118826123
2-(difluoromethyl)-6-methoxy-5-nitropyridin-3-ol
CID 118843155

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-6-fluoro-3-methoxy-5-nitropyridine?
The IUPAC name of 2-(difluoromethyl)-6-fluoro-3-methoxy-5-nitropyridine (CID 118837551) is 2-(difluoromethyl)-6-fluoro-3-methoxy-5-nitropyridine.
What is the SMILES notation for 2-(difluoromethyl)-6-fluoro-3-methoxy-5-nitropyridine?
The canonical SMILES for 2-(difluoromethyl)-6-fluoro-3-methoxy-5-nitropyridine is COc1cc([N+](=O)[O-])c(F)nc1C(F)F.
What is the InChIKey of 2-(difluoromethyl)-6-fluoro-3-methoxy-5-nitropyridine?
The InChIKey is VZFQCXZEVSMXKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3N2O3/c1-15-4-2-3(12(13)14)7(10)11-5(4)6(8)9/h2,6H,1H3.
What are the key properties of 2-(difluoromethyl)-6-fluoro-3-methoxy-5-nitropyridine?
2-(difluoromethyl)-6-fluoro-3-methoxy-5-nitropyridine has a molecular weight of 222.12 g/mol, XLogP of 2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-6-fluoro-3-methoxy-5-nitropyridine is sourced from PubChem (CID 118837551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).