ethyl 4-methoxy-6-propan-2-yloxy-2-(trifluoromethyl)pyridine-3-carboxylate

C13H16F3NO4 — CID 15063039

IUPACethyl 4-methoxy-6-propan-2-yloxy-2-(trifluoromethyl)pyridine-3-carboxylate
SMILESCCOC(=O)c1c(OC)cc(OC(C)C)nc1C(F)(F)F
InChIInChI=1S/C13H16F3NO4/c1-5-20-12(18)10-8(19-4)6-9(21-7(2)3)17-11(10)13(14,15)16/h6-7H,5H2,1-4H3
InChIKeyMBCSRINBCBITRF-UHFFFAOYSA-N
MW307.27 g/mol
LogP3.07
Rot. Bonds5

About ethyl 4-methoxy-6-propan-2-yloxy-2-(trifluoromethyl)pyridine-3-carboxylate

ethyl 4-methoxy-6-propan-2-yloxy-2-(trifluoromethyl)pyridine-3-carboxylate (PubChem CID 15063039) has the molecular formula C13H16F3NO4 and a molecular weight of 307.27 g/mol. Its IUPAC name is ethyl 4-methoxy-6-propan-2-yloxy-2-(trifluoromethyl)pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-methoxy-6-propan-2-yloxy-2-(trifluoromethyl)pyridine-3-carboxylate
PubChem CID15063039
Molecular FormulaC13H16F3NO4
Molecular Weight307.27 g/mol
Exact Mass307.10
IUPAC Nameethyl 4-methoxy-6-propan-2-yloxy-2-(trifluoromethyl)pyridine-3-carboxylate
SMILESCCOC(=O)c1c(OC)cc(OC(C)C)nc1C(F)(F)F
InChIInChI=1S/C13H16F3NO4/c1-5-20-12(18)10-8(19-4)6-9(21-7(2)3)17-11(10)13(14,15)16/h6-7H,5H2,1-4H3
InChIKeyMBCSRINBCBITRF-UHFFFAOYSA-N
XLogP3.07
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.27
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 6-methoxy-4-propan-2-yloxy-2-(trifluoromethyl)pyridine-3-carboxylate
CID 15063036
ethyl 2-(difluoromethyl)-4-methoxy-6-(trifluoromethoxy)pyridine-3-carboxylate
CID 134668484
ethyl 2,4-bis(trifluoromethyl)-6-(trifluoromethylsulfonyloxy)pyridine-3-carboxylate
CID 10048578
ethyl 6-chloro-2,4-bis(trifluoromethyl)pyridine-3-carboxylate
CID 10336213
ethyl 4-methoxy-2-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-3-carboxylate
CID 134680122
ethyl 3-(difluoromethyl)-5-methoxy-2-(trifluoromethyl)pyridine-4-carboxylate
CID 133098582
ethyl 4-methoxy-5-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-2-carboxylate
CID 134662339
ethyl 2-fluoro-4,6-dimethoxybenzoate
CID 134644513
4-methoxy-2-propan-2-yloxy-6-(2,2,2-trifluoroethoxy)pyridine
CID 155716665
ethyl 6-(chloromethyl)-4-methoxy-2-(trifluoromethoxy)pyridine-3-carboxylate
CID 134681855
ethyl 4-iodo-2,6-dimethoxybenzoate
CID 22933011
3-O-ethyl 5-O-methyl 2-(difluoromethyl)-4-(propan-2-ylamino)-6-(trifluoromethyl)pyridine-3,5-dicarboxylate
CID 14013820

Frequently Asked Questions

What is the IUPAC name of ethyl 4-methoxy-6-propan-2-yloxy-2-(trifluoromethyl)pyridine-3-carboxylate?
The IUPAC name of ethyl 4-methoxy-6-propan-2-yloxy-2-(trifluoromethyl)pyridine-3-carboxylate (CID 15063039) is ethyl 4-methoxy-6-propan-2-yloxy-2-(trifluoromethyl)pyridine-3-carboxylate.
What is the SMILES notation for ethyl 4-methoxy-6-propan-2-yloxy-2-(trifluoromethyl)pyridine-3-carboxylate?
The canonical SMILES for ethyl 4-methoxy-6-propan-2-yloxy-2-(trifluoromethyl)pyridine-3-carboxylate is CCOC(=O)c1c(OC)cc(OC(C)C)nc1C(F)(F)F.
What is the InChIKey of ethyl 4-methoxy-6-propan-2-yloxy-2-(trifluoromethyl)pyridine-3-carboxylate?
The InChIKey is MBCSRINBCBITRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO4/c1-5-20-12(18)10-8(19-4)6-9(21-7(2)3)17-11(10)13(14,15)16/h6-7H,5H2,1-4H3.
What are the key properties of ethyl 4-methoxy-6-propan-2-yloxy-2-(trifluoromethyl)pyridine-3-carboxylate?
ethyl 4-methoxy-6-propan-2-yloxy-2-(trifluoromethyl)pyridine-3-carboxylate has a molecular weight of 307.27 g/mol, XLogP of 3.07, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methoxy-6-propan-2-yloxy-2-(trifluoromethyl)pyridine-3-carboxylate is sourced from PubChem (CID 15063039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).