3-(difluoromethyl)-2-fluoro-6-methoxy-5-(trifluoromethyl)pyridine

C8H5F6NO — CID 133105630

IUPAC3-(difluoromethyl)-2-fluoro-6-methoxy-5-(trifluoromethyl)pyridine
SMILESCOc1nc(F)c(C(F)F)cc1C(F)(F)F
InChIInChI=1S/C8H5F6NO/c1-16-7-4(8(12,13)14)2-3(5(9)10)6(11)15-7/h2,5H,1H3
InChIKeyNCSYDHZUQBBTFN-UHFFFAOYSA-N
MW245.12 g/mol
LogP3.19
Rot. Bonds2

About 3-(difluoromethyl)-2-fluoro-6-methoxy-5-(trifluoromethyl)pyridine

3-(difluoromethyl)-2-fluoro-6-methoxy-5-(trifluoromethyl)pyridine (PubChem CID 133105630) has the molecular formula C8H5F6NO and a molecular weight of 245.12 g/mol. Its IUPAC name is 3-(difluoromethyl)-2-fluoro-6-methoxy-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-(difluoromethyl)-2-fluoro-6-methoxy-5-(trifluoromethyl)pyridine
PubChem CID133105630
Molecular FormulaC8H5F6NO
Molecular Weight245.12 g/mol
Exact Mass245.03
IUPAC Name3-(difluoromethyl)-2-fluoro-6-methoxy-5-(trifluoromethyl)pyridine
SMILESCOc1nc(F)c(C(F)F)cc1C(F)(F)F
InChIInChI=1S/C8H5F6NO/c1-16-7-4(8(12,13)14)2-3(5(9)10)6(11)15-7/h2,5H,1H3
InChIKeyNCSYDHZUQBBTFN-UHFFFAOYSA-N
XLogP3.19
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.12
LogP ≤ 53.19
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

5-bromo-3-(difluoromethyl)-2-fluoro-6-methoxypyridine
CID 130109364
2-chloro-5-(difluoromethyl)-6-methoxy-3-(trifluoromethyl)pyridine
CID 119010463
2-(difluoromethyl)-6-methoxy-3-methyl-5-(trifluoromethyl)pyridine
CID 133099889
[5-(difluoromethyl)-6-methoxy-3-(trifluoromethyl)-2-pyridinyl]methanol
CID 133099748
5-(difluoromethyl)-2-fluoro-6-methoxy-3-methylpyridine
CID 130080552
5-(difluoromethyl)-6-fluoro-3-(trifluoromethyl)pyridine-2-carbonitrile
CID 134675768
methyl 5-(difluoromethyl)-6-methoxy-3-(trifluoromethyl)pyridine-2-carboxylate
CID 133099603
5-(difluoromethyl)-2-fluoro-6-methoxypyridin-3-amine
CID 130103897
4-(difluoromethyl)-2-methoxy-6-(trifluoromethyl)pyridin-3-ol
CID 118812322
2-[2-(difluoromethyl)-6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetonitrile
CID 133098420
6-chloro-4-(difluoromethyl)-2-methoxy-3-(trifluoromethyl)pyridine
CID 130073839
5-(difluoromethyl)-2-iodo-6-methoxy-3-(trifluoromethoxy)pyridine
CID 134666852

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-2-fluoro-6-methoxy-5-(trifluoromethyl)pyridine?
The IUPAC name of 3-(difluoromethyl)-2-fluoro-6-methoxy-5-(trifluoromethyl)pyridine (CID 133105630) is 3-(difluoromethyl)-2-fluoro-6-methoxy-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-(difluoromethyl)-2-fluoro-6-methoxy-5-(trifluoromethyl)pyridine?
The canonical SMILES for 3-(difluoromethyl)-2-fluoro-6-methoxy-5-(trifluoromethyl)pyridine is COc1nc(F)c(C(F)F)cc1C(F)(F)F.
What is the InChIKey of 3-(difluoromethyl)-2-fluoro-6-methoxy-5-(trifluoromethyl)pyridine?
The InChIKey is NCSYDHZUQBBTFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F6NO/c1-16-7-4(8(12,13)14)2-3(5(9)10)6(11)15-7/h2,5H,1H3.
What are the key properties of 3-(difluoromethyl)-2-fluoro-6-methoxy-5-(trifluoromethyl)pyridine?
3-(difluoromethyl)-2-fluoro-6-methoxy-5-(trifluoromethyl)pyridine has a molecular weight of 245.12 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-2-fluoro-6-methoxy-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 133105630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).