ethyl 2-fluoro-5-(fluoromethyl)-4-(trifluoromethoxy)pyridine-3-carboxylate

C10H8F5NO3 — CID 134658635

IUPACethyl 2-fluoro-5-(fluoromethyl)-4-(trifluoromethoxy)pyridine-3-carboxylate
SMILESCCOC(=O)c1c(F)ncc(CF)c1OC(F)(F)F
InChIInChI=1S/C10H8F5NO3/c1-2-18-9(17)6-7(19-10(13,14)15)5(3-11)4-16-8(6)12/h4H,2-3H2,1H3
InChIKeyCRKGYTZOHHCGAB-UHFFFAOYSA-N
MW285.17 g/mol
LogP2.77
Rot. Bonds4

About ethyl 2-fluoro-5-(fluoromethyl)-4-(trifluoromethoxy)pyridine-3-carboxylate

ethyl 2-fluoro-5-(fluoromethyl)-4-(trifluoromethoxy)pyridine-3-carboxylate (PubChem CID 134658635) has the molecular formula C10H8F5NO3 and a molecular weight of 285.17 g/mol. Its IUPAC name is ethyl 2-fluoro-5-(fluoromethyl)-4-(trifluoromethoxy)pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-fluoro-5-(fluoromethyl)-4-(trifluoromethoxy)pyridine-3-carboxylate
PubChem CID134658635
Molecular FormulaC10H8F5NO3
Molecular Weight285.17 g/mol
Exact Mass285.04
IUPAC Nameethyl 2-fluoro-5-(fluoromethyl)-4-(trifluoromethoxy)pyridine-3-carboxylate
SMILESCCOC(=O)c1c(F)ncc(CF)c1OC(F)(F)F
InChIInChI=1S/C10H8F5NO3/c1-2-18-9(17)6-7(19-10(13,14)15)5(3-11)4-16-8(6)12/h4H,2-3H2,1H3
InChIKeyCRKGYTZOHHCGAB-UHFFFAOYSA-N
XLogP2.77
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.17
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[6-fluoro-5-(fluoromethyl)-4-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134658523
ethyl 2-methyl-5-nitro-3-(trifluoromethoxy)pyridine-4-carboxylate
CID 134662340
ethyl 2-[2-fluoro-3-(trifluoromethoxy)-5-(trifluoromethyl)-4-pyridinyl]acetate
CID 134680197
ethyl 2-(fluoromethyl)-3-iodo-5-(trifluoromethoxy)pyridine-4-carboxylate
CID 134676743
ethyl 2-[2-fluoro-4-(trifluoromethoxy)-5-(trifluoromethyl)-3-pyridinyl]acetate
CID 134665659
ethyl 2-[6-(fluoromethyl)-4-methoxy-5-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134662012
ethyl 5-(bromomethyl)-4-(difluoromethyl)-2-fluoropyridine-3-carboxylate
CID 133103882
methyl 5-(fluoromethyl)-3-iodo-4-(trifluoromethoxy)pyridine-2-carboxylate
CID 134669057
ethyl 2-[5-(difluoromethyl)-2-fluoro-3-(trifluoromethoxy)-4-pyridinyl]acetate
CID 134681160
ethyl 5-hydroxy-4-methyl-3-(trifluoromethoxy)pyridine-2-carboxylate
CID 134680335
ethyl 2-[5-iodo-6-methyl-4-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134662248
ethyl 2-(bromomethyl)-5-methoxy-4-(trifluoromethoxy)pyridine-3-carboxylate
CID 134663020

Frequently Asked Questions

What is the IUPAC name of ethyl 2-fluoro-5-(fluoromethyl)-4-(trifluoromethoxy)pyridine-3-carboxylate?
The IUPAC name of ethyl 2-fluoro-5-(fluoromethyl)-4-(trifluoromethoxy)pyridine-3-carboxylate (CID 134658635) is ethyl 2-fluoro-5-(fluoromethyl)-4-(trifluoromethoxy)pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-fluoro-5-(fluoromethyl)-4-(trifluoromethoxy)pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-fluoro-5-(fluoromethyl)-4-(trifluoromethoxy)pyridine-3-carboxylate is CCOC(=O)c1c(F)ncc(CF)c1OC(F)(F)F.
What is the InChIKey of ethyl 2-fluoro-5-(fluoromethyl)-4-(trifluoromethoxy)pyridine-3-carboxylate?
The InChIKey is CRKGYTZOHHCGAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F5NO3/c1-2-18-9(17)6-7(19-10(13,14)15)5(3-11)4-16-8(6)12/h4H,2-3H2,1H3.
What are the key properties of ethyl 2-fluoro-5-(fluoromethyl)-4-(trifluoromethoxy)pyridine-3-carboxylate?
ethyl 2-fluoro-5-(fluoromethyl)-4-(trifluoromethoxy)pyridine-3-carboxylate has a molecular weight of 285.17 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-fluoro-5-(fluoromethyl)-4-(trifluoromethoxy)pyridine-3-carboxylate is sourced from PubChem (CID 134658635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).