methyl 3-fluoro-5-(fluoromethyl)-6-(trifluoromethoxy)pyridine-2-carboxylate

C9H6F5NO3 — CID 134677279

IUPACmethyl 3-fluoro-5-(fluoromethyl)-6-(trifluoromethoxy)pyridine-2-carboxylate
SMILESCOC(=O)c1nc(OC(F)(F)F)c(CF)cc1F
InChIInChI=1S/C9H6F5NO3/c1-17-8(16)6-5(11)2-4(3-10)7(15-6)18-9(12,13)14/h2H,3H2,1H3
InChIKeyGTQQGKFFDPCJQP-UHFFFAOYSA-N
MW271.14 g/mol
LogP2.38
Rot. Bonds3

About methyl 3-fluoro-5-(fluoromethyl)-6-(trifluoromethoxy)pyridine-2-carboxylate

methyl 3-fluoro-5-(fluoromethyl)-6-(trifluoromethoxy)pyridine-2-carboxylate (PubChem CID 134677279) has the molecular formula C9H6F5NO3 and a molecular weight of 271.14 g/mol. Its IUPAC name is methyl 3-fluoro-5-(fluoromethyl)-6-(trifluoromethoxy)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-fluoro-5-(fluoromethyl)-6-(trifluoromethoxy)pyridine-2-carboxylate
PubChem CID134677279
Molecular FormulaC9H6F5NO3
Molecular Weight271.14 g/mol
Exact Mass271.03
IUPAC Namemethyl 3-fluoro-5-(fluoromethyl)-6-(trifluoromethoxy)pyridine-2-carboxylate
SMILESCOC(=O)c1nc(OC(F)(F)F)c(CF)cc1F
InChIInChI=1S/C9H6F5NO3/c1-17-8(16)6-5(11)2-4(3-10)7(15-6)18-9(12,13)14/h2H,3H2,1H3
InChIKeyGTQQGKFFDPCJQP-UHFFFAOYSA-N
XLogP2.38
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.14
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-(bromomethyl)-6-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-2-carboxylate
CID 134672507
methyl 5-(fluoromethyl)-4-methoxy-6-(trifluoromethoxy)pyridine-2-carboxylate
CID 134669852
methyl 2-(fluoromethyl)-5-methoxy-6-(trifluoromethoxy)pyridine-3-carboxylate
CID 134677011
methyl 2-[4-(fluoromethyl)-5-iodo-6-(trifluoromethoxy)-2-pyridinyl]acetate
CID 134663047
methyl 3-(aminomethyl)-6-methoxy-5-(trifluoromethoxy)pyridine-2-carboxylate
CID 134668833
methyl 2-[2-(difluoromethyl)-5-fluoro-6-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134666504
2-[5-fluoro-4-(fluoromethyl)-6-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 134677319
3-hydroxy-5-methoxy-6-(trifluoromethoxy)pyridine-2-carbonyl chloride
CID 134677733
ethyl 2-[5-(fluoromethyl)-2-iodo-6-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134681321
methyl 5-(fluoromethyl)-3-iodo-4-(trifluoromethoxy)pyridine-2-carboxylate
CID 134669057
methyl 4-(chloromethyl)-5-hydroxy-6-(trifluoromethoxy)pyridine-2-carboxylate
CID 134660430
methyl 3-hydroxy-5-nitro-6-(trifluoromethoxy)pyridine-2-carboxylate
CID 134667582

Frequently Asked Questions

What is the IUPAC name of methyl 3-fluoro-5-(fluoromethyl)-6-(trifluoromethoxy)pyridine-2-carboxylate?
The IUPAC name of methyl 3-fluoro-5-(fluoromethyl)-6-(trifluoromethoxy)pyridine-2-carboxylate (CID 134677279) is methyl 3-fluoro-5-(fluoromethyl)-6-(trifluoromethoxy)pyridine-2-carboxylate.
What is the SMILES notation for methyl 3-fluoro-5-(fluoromethyl)-6-(trifluoromethoxy)pyridine-2-carboxylate?
The canonical SMILES for methyl 3-fluoro-5-(fluoromethyl)-6-(trifluoromethoxy)pyridine-2-carboxylate is COC(=O)c1nc(OC(F)(F)F)c(CF)cc1F.
What is the InChIKey of methyl 3-fluoro-5-(fluoromethyl)-6-(trifluoromethoxy)pyridine-2-carboxylate?
The InChIKey is GTQQGKFFDPCJQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F5NO3/c1-17-8(16)6-5(11)2-4(3-10)7(15-6)18-9(12,13)14/h2H,3H2,1H3.
What are the key properties of methyl 3-fluoro-5-(fluoromethyl)-6-(trifluoromethoxy)pyridine-2-carboxylate?
methyl 3-fluoro-5-(fluoromethyl)-6-(trifluoromethoxy)pyridine-2-carboxylate has a molecular weight of 271.14 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-fluoro-5-(fluoromethyl)-6-(trifluoromethoxy)pyridine-2-carboxylate is sourced from PubChem (CID 134677279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).