3-(difluoromethyl)-2,4-difluoro-6-methoxypyridine

C7H5F4NO — CID 130099661

IUPAC3-(difluoromethyl)-2,4-difluoro-6-methoxypyridine
SMILESCOc1cc(F)c(C(F)F)c(F)n1
InChIInChI=1S/C7H5F4NO/c1-13-4-2-3(8)5(6(9)10)7(11)12-4/h2,6H,1H3
InChIKeyMTZKXMDSZASQAQ-UHFFFAOYSA-N
MW195.12 g/mol
LogP2.31
Rot. Bonds2

About 3-(difluoromethyl)-2,4-difluoro-6-methoxypyridine

3-(difluoromethyl)-2,4-difluoro-6-methoxypyridine (PubChem CID 130099661) has the molecular formula C7H5F4NO and a molecular weight of 195.12 g/mol. Its IUPAC name is 3-(difluoromethyl)-2,4-difluoro-6-methoxypyridine.

Molecular Properties

Compound Name3-(difluoromethyl)-2,4-difluoro-6-methoxypyridine
PubChem CID130099661
Molecular FormulaC7H5F4NO
Molecular Weight195.12 g/mol
Exact Mass195.03
IUPAC Name3-(difluoromethyl)-2,4-difluoro-6-methoxypyridine
SMILESCOc1cc(F)c(C(F)F)c(F)n1
InChIInChI=1S/C7H5F4NO/c1-13-4-2-3(8)5(6(9)10)7(11)12-4/h2,6H,1H3
InChIKeyMTZKXMDSZASQAQ-UHFFFAOYSA-N
XLogP2.31
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.12
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[3-(difluoromethyl)-4-fluoro-6-methoxy-2-pyridinyl]methanamine
CID 118848151
3-(difluoromethyl)-4-fluoro-6-methoxy-2-nitropyridine
CID 133105790
3-(difluoromethyl)-4-fluoro-6-methoxypyridine-2-sulfonamide
CID 133105151
3-(difluoromethyl)-2,4,6-trifluoropyridine
CID 130088806
4-(difluoromethyl)-2-fluoro-6-methoxy-3-(trifluoromethoxy)pyridine
CID 118801347
[5-(difluoromethyl)-4-fluoro-6-methoxy-2-pyridinyl]methanamine
CID 130080559
3-(difluoromethyl)-6-methoxy-2-methylpyridine-4-carbaldehyde
CID 130087961
6-bromo-3-(difluoromethyl)-4-fluoro-2-methylpyridine
CID 130109381
2-(difluoromethyl)-4-methoxy-6-methylpyrimidine
CID 176691048
3-(difluoromethyl)-2-fluoro-6-(trifluoromethoxy)pyridin-4-amine
CID 118823425
4-chloro-3-(difluoromethyl)-6-methoxy-2-nitropyridine
CID 118811329
4-(difluoromethyl)-3-fluoro-6-methoxy-2-(trifluoromethyl)pyridine
CID 118840685

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-2,4-difluoro-6-methoxypyridine?
The IUPAC name of 3-(difluoromethyl)-2,4-difluoro-6-methoxypyridine (CID 130099661) is 3-(difluoromethyl)-2,4-difluoro-6-methoxypyridine.
What is the SMILES notation for 3-(difluoromethyl)-2,4-difluoro-6-methoxypyridine?
The canonical SMILES for 3-(difluoromethyl)-2,4-difluoro-6-methoxypyridine is COc1cc(F)c(C(F)F)c(F)n1.
What is the InChIKey of 3-(difluoromethyl)-2,4-difluoro-6-methoxypyridine?
The InChIKey is MTZKXMDSZASQAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F4NO/c1-13-4-2-3(8)5(6(9)10)7(11)12-4/h2,6H,1H3.
What are the key properties of 3-(difluoromethyl)-2,4-difluoro-6-methoxypyridine?
3-(difluoromethyl)-2,4-difluoro-6-methoxypyridine has a molecular weight of 195.12 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-2,4-difluoro-6-methoxypyridine is sourced from PubChem (CID 130099661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).