(2-methoxy-3-pyridinyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone

C13H9F3N2O2 — CID 102709642

IUPAC(2-methoxy-3-pyridinyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone
SMILESCOc1ncccc1C(=O)c1cnccc1C(F)(F)F
InChIInChI=1S/C13H9F3N2O2/c1-20-12-8(3-2-5-18-12)11(19)9-7-17-6-4-10(9)13(14,15)16/h2-7H,1H3
InChIKeyRSPJYLRXFCHADT-UHFFFAOYSA-N
MW282.22 g/mol
LogP2.73
Rot. Bonds3

About (2-methoxy-3-pyridinyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone

(2-methoxy-3-pyridinyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone (PubChem CID 102709642) has the molecular formula C13H9F3N2O2 and a molecular weight of 282.22 g/mol. Its IUPAC name is (2-methoxy-3-pyridinyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone.

Molecular Properties

Compound Name(2-methoxy-3-pyridinyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone
PubChem CID102709642
Molecular FormulaC13H9F3N2O2
Molecular Weight282.22 g/mol
Exact Mass282.06
IUPAC Name(2-methoxy-3-pyridinyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone
SMILESCOc1ncccc1C(=O)c1cnccc1C(F)(F)F
InChIInChI=1S/C13H9F3N2O2/c1-20-12-8(3-2-5-18-12)11(19)9-7-17-6-4-10(9)13(14,15)16/h2-7H,1H3
InChIKeyRSPJYLRXFCHADT-UHFFFAOYSA-N
XLogP2.73
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.22
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-methoxy-3-pyridinyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone?
The IUPAC name of (2-methoxy-3-pyridinyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone (CID 102709642) is (2-methoxy-3-pyridinyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone.
What is the SMILES notation for (2-methoxy-3-pyridinyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone?
The canonical SMILES for (2-methoxy-3-pyridinyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone is COc1ncccc1C(=O)c1cnccc1C(F)(F)F.
What is the InChIKey of (2-methoxy-3-pyridinyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone?
The InChIKey is RSPJYLRXFCHADT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N2O2/c1-20-12-8(3-2-5-18-12)11(19)9-7-17-6-4-10(9)13(14,15)16/h2-7H,1H3.
What are the key properties of (2-methoxy-3-pyridinyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone?
(2-methoxy-3-pyridinyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone has a molecular weight of 282.22 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-3-pyridinyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone is sourced from PubChem (CID 102709642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).