2-chloro-6-(difluoromethyl)-4-methoxy-3-(trifluoromethoxy)pyridine

C8H5ClF5NO2 — CID 119008935

IUPAC2-chloro-6-(difluoromethyl)-4-methoxy-3-(trifluoromethoxy)pyridine
SMILESCOc1cc(C(F)F)nc(Cl)c1OC(F)(F)F
InChIInChI=1S/C8H5ClF5NO2/c1-16-4-2-3(7(10)11)15-6(9)5(4)17-8(12,13)14/h2,7H,1H3
InChIKeyPLZULJGFWBLKFU-UHFFFAOYSA-N
MW277.58 g/mol
LogP3.58
Rot. Bonds3

About 2-chloro-6-(difluoromethyl)-4-methoxy-3-(trifluoromethoxy)pyridine

2-chloro-6-(difluoromethyl)-4-methoxy-3-(trifluoromethoxy)pyridine (PubChem CID 119008935) has the molecular formula C8H5ClF5NO2 and a molecular weight of 277.58 g/mol. Its IUPAC name is 2-chloro-6-(difluoromethyl)-4-methoxy-3-(trifluoromethoxy)pyridine.

Molecular Properties

Compound Name2-chloro-6-(difluoromethyl)-4-methoxy-3-(trifluoromethoxy)pyridine
PubChem CID119008935
Molecular FormulaC8H5ClF5NO2
Molecular Weight277.58 g/mol
Exact Mass276.99
IUPAC Name2-chloro-6-(difluoromethyl)-4-methoxy-3-(trifluoromethoxy)pyridine
SMILESCOc1cc(C(F)F)nc(Cl)c1OC(F)(F)F
InChIInChI=1S/C8H5ClF5NO2/c1-16-4-2-3(7(10)11)15-6(9)5(4)17-8(12,13)14/h2,7H,1H3
InChIKeyPLZULJGFWBLKFU-UHFFFAOYSA-N
XLogP3.58
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.58
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-6-(difluoromethyl)-3-(trifluoromethoxy)pyridine-4-carbaldehyde
CID 119020715
2-chloro-6-(difluoromethyl)-3-methoxypyridine-4-carboxylic acid
CID 119002941
6-(difluoromethyl)-3-methoxy-4-methyl-2-(trifluoromethoxy)pyridine
CID 134678577
6-(difluoromethyl)-4-methoxy-5-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 118809091
4-chloro-2-(difluoromethyl)-5-methoxy-3-(trifluoromethoxy)pyridine
CID 118822429
6-(difluoromethyl)-4-(trifluoromethoxy)-2-(trifluoromethyl)pyridin-3-ol
CID 134663177
4-chloro-6-(difluoromethyl)-3-methyl-2-(trifluoromethoxy)pyridine
CID 118822584
6-(difluoromethyl)-3-iodo-2-methyl-4-(trifluoromethoxy)pyridine
CID 130112855
2-[6-(difluoromethyl)-4-methoxy-5-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 118803481
2-(chloromethyl)-6-(difluoromethyl)-4-methoxypyridin-3-amine
CID 130105970
ethyl 2-[2-chloro-6-(difluoromethyl)-3-methoxy-4-pyridinyl]acetate
CID 134674935
[6-(difluoromethyl)-3-methoxy-2-(trifluoromethoxy)-4-pyridinyl]methanol
CID 134681962

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(difluoromethyl)-4-methoxy-3-(trifluoromethoxy)pyridine?
The IUPAC name of 2-chloro-6-(difluoromethyl)-4-methoxy-3-(trifluoromethoxy)pyridine (CID 119008935) is 2-chloro-6-(difluoromethyl)-4-methoxy-3-(trifluoromethoxy)pyridine.
What is the SMILES notation for 2-chloro-6-(difluoromethyl)-4-methoxy-3-(trifluoromethoxy)pyridine?
The canonical SMILES for 2-chloro-6-(difluoromethyl)-4-methoxy-3-(trifluoromethoxy)pyridine is COc1cc(C(F)F)nc(Cl)c1OC(F)(F)F.
What is the InChIKey of 2-chloro-6-(difluoromethyl)-4-methoxy-3-(trifluoromethoxy)pyridine?
The InChIKey is PLZULJGFWBLKFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClF5NO2/c1-16-4-2-3(7(10)11)15-6(9)5(4)17-8(12,13)14/h2,7H,1H3.
What are the key properties of 2-chloro-6-(difluoromethyl)-4-methoxy-3-(trifluoromethoxy)pyridine?
2-chloro-6-(difluoromethyl)-4-methoxy-3-(trifluoromethoxy)pyridine has a molecular weight of 277.58 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(difluoromethyl)-4-methoxy-3-(trifluoromethoxy)pyridine is sourced from PubChem (CID 119008935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).