ethyl 2-pyridin-2-yl-6-(trifluoromethyl)pyridine-3-carboxylate

C14H11F3N2O2 — CID 11536683

IUPACethyl 2-pyridin-2-yl-6-(trifluoromethyl)pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(C(F)(F)F)nc1-c1ccccn1
InChIInChI=1S/C14H11F3N2O2/c1-2-21-13(20)9-6-7-11(14(15,16)17)19-12(9)10-5-3-4-8-18-10/h3-8H,2H2,1H3
InChIKeyMWALPNRTCQXTFL-UHFFFAOYSA-N
MW296.25 g/mol
LogP3.34
Rot. Bonds3

About ethyl 2-pyridin-2-yl-6-(trifluoromethyl)pyridine-3-carboxylate

ethyl 2-pyridin-2-yl-6-(trifluoromethyl)pyridine-3-carboxylate (PubChem CID 11536683) has the molecular formula C14H11F3N2O2 and a molecular weight of 296.25 g/mol. Its IUPAC name is ethyl 2-pyridin-2-yl-6-(trifluoromethyl)pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-pyridin-2-yl-6-(trifluoromethyl)pyridine-3-carboxylate
PubChem CID11536683
Molecular FormulaC14H11F3N2O2
Molecular Weight296.25 g/mol
Exact Mass296.08
IUPAC Nameethyl 2-pyridin-2-yl-6-(trifluoromethyl)pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(C(F)(F)F)nc1-c1ccccn1
InChIInChI=1S/C14H11F3N2O2/c1-2-21-13(20)9-6-7-11(14(15,16)17)19-12(9)10-5-3-4-8-18-10/h3-8H,2H2,1H3
InChIKeyMWALPNRTCQXTFL-UHFFFAOYSA-N
XLogP3.34
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.25
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-pyridin-2-yl-6-(trifluoromethyl)pyridine-3-carboxylate?
The IUPAC name of ethyl 2-pyridin-2-yl-6-(trifluoromethyl)pyridine-3-carboxylate (CID 11536683) is ethyl 2-pyridin-2-yl-6-(trifluoromethyl)pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-pyridin-2-yl-6-(trifluoromethyl)pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-pyridin-2-yl-6-(trifluoromethyl)pyridine-3-carboxylate is CCOC(=O)c1ccc(C(F)(F)F)nc1-c1ccccn1.
What is the InChIKey of ethyl 2-pyridin-2-yl-6-(trifluoromethyl)pyridine-3-carboxylate?
The InChIKey is MWALPNRTCQXTFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N2O2/c1-2-21-13(20)9-6-7-11(14(15,16)17)19-12(9)10-5-3-4-8-18-10/h3-8H,2H2,1H3.
What are the key properties of ethyl 2-pyridin-2-yl-6-(trifluoromethyl)pyridine-3-carboxylate?
ethyl 2-pyridin-2-yl-6-(trifluoromethyl)pyridine-3-carboxylate has a molecular weight of 296.25 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-pyridin-2-yl-6-(trifluoromethyl)pyridine-3-carboxylate is sourced from PubChem (CID 11536683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).