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

C7H5F3N2O3 — CID 133105790

IUPAC3-(difluoromethyl)-4-fluoro-6-methoxy-2-nitropyridine
SMILESCOc1cc(F)c(C(F)F)c([N+](=O)[O-])n1
InChIInChI=1S/C7H5F3N2O3/c1-15-4-2-3(8)5(6(9)10)7(11-4)12(13)14/h2,6H,1H3
InChIKeyPCXHBAYDUURWGL-UHFFFAOYSA-N
MW222.12 g/mol
LogP2.08
Rot. Bonds3

About 3-(difluoromethyl)-4-fluoro-6-methoxy-2-nitropyridine

3-(difluoromethyl)-4-fluoro-6-methoxy-2-nitropyridine (PubChem CID 133105790) has the molecular formula C7H5F3N2O3 and a molecular weight of 222.12 g/mol. Its IUPAC name is 3-(difluoromethyl)-4-fluoro-6-methoxy-2-nitropyridine.

Molecular Properties

Compound Name3-(difluoromethyl)-4-fluoro-6-methoxy-2-nitropyridine
PubChem CID133105790
Molecular FormulaC7H5F3N2O3
Molecular Weight222.12 g/mol
Exact Mass222.03
IUPAC Name3-(difluoromethyl)-4-fluoro-6-methoxy-2-nitropyridine
SMILESCOc1cc(F)c(C(F)F)c([N+](=O)[O-])n1
InChIInChI=1S/C7H5F3N2O3/c1-15-4-2-3(8)5(6(9)10)7(11-4)12(13)14/h2,6H,1H3
InChIKeyPCXHBAYDUURWGL-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': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-chloro-3-(difluoromethyl)-6-methoxy-2-nitropyridine
CID 118811329
3-(difluoromethyl)-6-methoxy-2-nitropyridin-4-amine
CID 118840608
6-bromo-3-(difluoromethyl)-4-fluoro-2-nitropyridine
CID 130109415
3-(difluoromethyl)-6-methoxy-2-nitro-4-(trifluoromethoxy)pyridine
CID 134660667
3-(difluoromethyl)-4,6-difluoro-2-nitropyridine
CID 118800101
3-(difluoromethyl)-2,4-difluoro-6-methoxypyridine
CID 130099661
5-(difluoromethyl)-4-fluoro-6-nitropyridine-2-carbonyl chloride
CID 133104632
3-(difluoromethyl)-4-fluoro-6-methoxypyridine-2-sulfonamide
CID 133105151
[3-(difluoromethyl)-6-methoxy-4-nitro-2-pyridinyl]methanol
CID 133100033
methyl 3-(difluoromethyl)-4-fluoro-6-nitropyridine-2-carboxylate
CID 133104560
[3-(difluoromethyl)-4-fluoro-6-methoxy-2-pyridinyl]methanamine
CID 118848151
methyl 3-(difluoromethyl)-6-methoxy-4-nitropyridine-2-carboxylate
CID 133099851

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-4-fluoro-6-methoxy-2-nitropyridine?
The IUPAC name of 3-(difluoromethyl)-4-fluoro-6-methoxy-2-nitropyridine (CID 133105790) is 3-(difluoromethyl)-4-fluoro-6-methoxy-2-nitropyridine.
What is the SMILES notation for 3-(difluoromethyl)-4-fluoro-6-methoxy-2-nitropyridine?
The canonical SMILES for 3-(difluoromethyl)-4-fluoro-6-methoxy-2-nitropyridine is COc1cc(F)c(C(F)F)c([N+](=O)[O-])n1.
What is the InChIKey of 3-(difluoromethyl)-4-fluoro-6-methoxy-2-nitropyridine?
The InChIKey is PCXHBAYDUURWGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3N2O3/c1-15-4-2-3(8)5(6(9)10)7(11-4)12(13)14/h2,6H,1H3.
What are the key properties of 3-(difluoromethyl)-4-fluoro-6-methoxy-2-nitropyridine?
3-(difluoromethyl)-4-fluoro-6-methoxy-2-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 3-(difluoromethyl)-4-fluoro-6-methoxy-2-nitropyridine is sourced from PubChem (CID 133105790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).