[4-methyl-6-(4-methyl-2-pyridinyl)-2-pyridinyl]-[4-(trifluoromethoxy)phenyl]methanone

C20H15F3N2O2 — CID 135252439

IUPAC[4-methyl-6-(4-methyl-2-pyridinyl)-2-pyridinyl]-[4-(trifluoromethoxy)phenyl]methanone
SMILESCc1ccnc(-c2cc(C)cc(C(=O)c3ccc(OC(F)(F)F)cc3)n2)c1
InChIInChI=1S/C20H15F3N2O2/c1-12-7-8-24-16(9-12)17-10-13(2)11-18(25-17)19(26)14-3-5-15(6-4-14)27-20(21,22)23/h3-11H,1-2H3
InChIKeyWUCCCDNCPAQXIX-UHFFFAOYSA-N
MW372.35 g/mol
LogP4.89
Rot. Bonds4

About [4-methyl-6-(4-methyl-2-pyridinyl)-2-pyridinyl]-[4-(trifluoromethoxy)phenyl]methanone

[4-methyl-6-(4-methyl-2-pyridinyl)-2-pyridinyl]-[4-(trifluoromethoxy)phenyl]methanone (PubChem CID 135252439) has the molecular formula C20H15F3N2O2 and a molecular weight of 372.35 g/mol. Its IUPAC name is [4-methyl-6-(4-methyl-2-pyridinyl)-2-pyridinyl]-[4-(trifluoromethoxy)phenyl]methanone.

Molecular Properties

Compound Name[4-methyl-6-(4-methyl-2-pyridinyl)-2-pyridinyl]-[4-(trifluoromethoxy)phenyl]methanone
PubChem CID135252439
Molecular FormulaC20H15F3N2O2
Molecular Weight372.35 g/mol
Exact Mass372.11
IUPAC Name[4-methyl-6-(4-methyl-2-pyridinyl)-2-pyridinyl]-[4-(trifluoromethoxy)phenyl]methanone
SMILESCc1ccnc(-c2cc(C)cc(C(=O)c3ccc(OC(F)(F)F)cc3)n2)c1
InChIInChI=1S/C20H15F3N2O2/c1-12-7-8-24-16(9-12)17-10-13(2)11-18(25-17)19(26)14-3-5-15(6-4-14)27-20(21,22)23/h3-11H,1-2H3
InChIKeyWUCCCDNCPAQXIX-UHFFFAOYSA-N
XLogP4.89
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.35
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-methyl-6-(4-methyl-2-pyridinyl)-2-pyridinyl]-[4-(trifluoromethoxy)phenyl]methanone?
The IUPAC name of [4-methyl-6-(4-methyl-2-pyridinyl)-2-pyridinyl]-[4-(trifluoromethoxy)phenyl]methanone (CID 135252439) is [4-methyl-6-(4-methyl-2-pyridinyl)-2-pyridinyl]-[4-(trifluoromethoxy)phenyl]methanone.
What is the SMILES notation for [4-methyl-6-(4-methyl-2-pyridinyl)-2-pyridinyl]-[4-(trifluoromethoxy)phenyl]methanone?
The canonical SMILES for [4-methyl-6-(4-methyl-2-pyridinyl)-2-pyridinyl]-[4-(trifluoromethoxy)phenyl]methanone is Cc1ccnc(-c2cc(C)cc(C(=O)c3ccc(OC(F)(F)F)cc3)n2)c1.
What is the InChIKey of [4-methyl-6-(4-methyl-2-pyridinyl)-2-pyridinyl]-[4-(trifluoromethoxy)phenyl]methanone?
The InChIKey is WUCCCDNCPAQXIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N2O2/c1-12-7-8-24-16(9-12)17-10-13(2)11-18(25-17)19(26)14-3-5-15(6-4-14)27-20(21,22)23/h3-11H,1-2H3.
What are the key properties of [4-methyl-6-(4-methyl-2-pyridinyl)-2-pyridinyl]-[4-(trifluoromethoxy)phenyl]methanone?
[4-methyl-6-(4-methyl-2-pyridinyl)-2-pyridinyl]-[4-(trifluoromethoxy)phenyl]methanone has a molecular weight of 372.35 g/mol, XLogP of 4.89, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-6-(4-methyl-2-pyridinyl)-2-pyridinyl]-[4-(trifluoromethoxy)phenyl]methanone is sourced from PubChem (CID 135252439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).