ethyl 3-(difluoromethyl)-5-methoxy-2-(trifluoromethyl)pyridine-4-carboxylate

C11H10F5NO3 — CID 133098582

IUPACethyl 3-(difluoromethyl)-5-methoxy-2-(trifluoromethyl)pyridine-4-carboxylate
SMILESCCOC(=O)c1c(OC)cnc(C(F)(F)F)c1C(F)F
InChIInChI=1S/C11H10F5NO3/c1-3-20-10(18)6-5(19-2)4-17-8(11(14,15)16)7(6)9(12)13/h4,9H,3H2,1-2H3
InChIKeyQFHJTUUBVCHDSZ-UHFFFAOYSA-N
MW299.20 g/mol
LogP3.22
Rot. Bonds4

About ethyl 3-(difluoromethyl)-5-methoxy-2-(trifluoromethyl)pyridine-4-carboxylate

ethyl 3-(difluoromethyl)-5-methoxy-2-(trifluoromethyl)pyridine-4-carboxylate (PubChem CID 133098582) has the molecular formula C11H10F5NO3 and a molecular weight of 299.20 g/mol. Its IUPAC name is ethyl 3-(difluoromethyl)-5-methoxy-2-(trifluoromethyl)pyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-(difluoromethyl)-5-methoxy-2-(trifluoromethyl)pyridine-4-carboxylate
PubChem CID133098582
Molecular FormulaC11H10F5NO3
Molecular Weight299.20 g/mol
Exact Mass299.06
IUPAC Nameethyl 3-(difluoromethyl)-5-methoxy-2-(trifluoromethyl)pyridine-4-carboxylate
SMILESCCOC(=O)c1c(OC)cnc(C(F)(F)F)c1C(F)F
InChIInChI=1S/C11H10F5NO3/c1-3-20-10(18)6-5(19-2)4-17-8(11(14,15)16)7(6)9(12)13/h4,9H,3H2,1-2H3
InChIKeyQFHJTUUBVCHDSZ-UHFFFAOYSA-N
XLogP3.22
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.20
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(difluoromethyl)-5-methoxy-2-(trifluoromethyl)pyridine-3-carboxylic acid
CID 118852185
2-[3-(difluoromethyl)-5-methoxy-2-(trifluoromethyl)-4-pyridinyl]acetic acid
CID 133099443
ethyl 2-(difluoromethyl)-4-iodo-5-methoxypyridine-3-carboxylate
CID 133101504
ethyl 4-chloro-2-(difluoromethyl)-5-methoxypyridine-3-carboxylate
CID 134684705
ethyl 4-(difluoromethyl)-3-iodo-5-methoxypyridine-2-carboxylate
CID 133102055
ethyl 3-hydroxy-5-methoxy-2-(trifluoromethoxy)pyridine-4-carboxylate
CID 134665109
ethyl 5-(difluoromethyl)-6-methoxy-4-(trifluoromethyl)pyridine-3-carboxylate
CID 133098576
ethyl 2-[4-bromo-5-(difluoromethyl)-6-(trifluoromethyl)-3-pyridinyl]acetate
CID 134676322
[4-(difluoromethyl)-5-methoxy-2-(trifluoromethyl)-3-pyridinyl]methanol
CID 118824102
ethyl 3-(aminomethyl)-5-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-4-carboxylate
CID 134682897
ethyl 5-chloro-3-(difluoromethyl)-2-methoxypyridine-4-carboxylate
CID 134674440
ethyl 4-cyano-3-(difluoromethyl)-5-methoxypyridine-2-carboxylate
CID 134685125

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(difluoromethyl)-5-methoxy-2-(trifluoromethyl)pyridine-4-carboxylate?
The IUPAC name of ethyl 3-(difluoromethyl)-5-methoxy-2-(trifluoromethyl)pyridine-4-carboxylate (CID 133098582) is ethyl 3-(difluoromethyl)-5-methoxy-2-(trifluoromethyl)pyridine-4-carboxylate.
What is the SMILES notation for ethyl 3-(difluoromethyl)-5-methoxy-2-(trifluoromethyl)pyridine-4-carboxylate?
The canonical SMILES for ethyl 3-(difluoromethyl)-5-methoxy-2-(trifluoromethyl)pyridine-4-carboxylate is CCOC(=O)c1c(OC)cnc(C(F)(F)F)c1C(F)F.
What is the InChIKey of ethyl 3-(difluoromethyl)-5-methoxy-2-(trifluoromethyl)pyridine-4-carboxylate?
The InChIKey is QFHJTUUBVCHDSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F5NO3/c1-3-20-10(18)6-5(19-2)4-17-8(11(14,15)16)7(6)9(12)13/h4,9H,3H2,1-2H3.
What are the key properties of ethyl 3-(difluoromethyl)-5-methoxy-2-(trifluoromethyl)pyridine-4-carboxylate?
ethyl 3-(difluoromethyl)-5-methoxy-2-(trifluoromethyl)pyridine-4-carboxylate has a molecular weight of 299.20 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(difluoromethyl)-5-methoxy-2-(trifluoromethyl)pyridine-4-carboxylate is sourced from PubChem (CID 133098582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).