1-(6-methyl-2-pyridinyl)-3-[4-(trifluoromethyl)phenyl]propan-2-one

C16H14F3NO — CID 91435752

IUPAC1-(6-methyl-2-pyridinyl)-3-[4-(trifluoromethyl)phenyl]propan-2-one
SMILESCc1cccc(CC(=O)Cc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C16H14F3NO/c1-11-3-2-4-14(20-11)10-15(21)9-12-5-7-13(8-6-12)16(17,18)19/h2-8H,9-10H2,1H3
InChIKeyAXERLRPVQZAOPN-UHFFFAOYSA-N
MW293.29 g/mol
LogP3.76
Rot. Bonds4

About 1-(6-methyl-2-pyridinyl)-3-[4-(trifluoromethyl)phenyl]propan-2-one

1-(6-methyl-2-pyridinyl)-3-[4-(trifluoromethyl)phenyl]propan-2-one (PubChem CID 91435752) has the molecular formula C16H14F3NO and a molecular weight of 293.29 g/mol. Its IUPAC name is 1-(6-methyl-2-pyridinyl)-3-[4-(trifluoromethyl)phenyl]propan-2-one.

Molecular Properties

Compound Name1-(6-methyl-2-pyridinyl)-3-[4-(trifluoromethyl)phenyl]propan-2-one
PubChem CID91435752
Molecular FormulaC16H14F3NO
Molecular Weight293.29 g/mol
Exact Mass293.10
IUPAC Name1-(6-methyl-2-pyridinyl)-3-[4-(trifluoromethyl)phenyl]propan-2-one
SMILESCc1cccc(CC(=O)Cc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C16H14F3NO/c1-11-3-2-4-14(20-11)10-15(21)9-12-5-7-13(8-6-12)16(17,18)19/h2-8H,9-10H2,1H3
InChIKeyAXERLRPVQZAOPN-UHFFFAOYSA-N
XLogP3.76
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(6-methyl-2-pyridinyl)-3-[4-(trifluoromethyl)phenyl]propan-2-one?
The IUPAC name of 1-(6-methyl-2-pyridinyl)-3-[4-(trifluoromethyl)phenyl]propan-2-one (CID 91435752) is 1-(6-methyl-2-pyridinyl)-3-[4-(trifluoromethyl)phenyl]propan-2-one.
What is the SMILES notation for 1-(6-methyl-2-pyridinyl)-3-[4-(trifluoromethyl)phenyl]propan-2-one?
The canonical SMILES for 1-(6-methyl-2-pyridinyl)-3-[4-(trifluoromethyl)phenyl]propan-2-one is Cc1cccc(CC(=O)Cc2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of 1-(6-methyl-2-pyridinyl)-3-[4-(trifluoromethyl)phenyl]propan-2-one?
The InChIKey is AXERLRPVQZAOPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3NO/c1-11-3-2-4-14(20-11)10-15(21)9-12-5-7-13(8-6-12)16(17,18)19/h2-8H,9-10H2,1H3.
What are the key properties of 1-(6-methyl-2-pyridinyl)-3-[4-(trifluoromethyl)phenyl]propan-2-one?
1-(6-methyl-2-pyridinyl)-3-[4-(trifluoromethyl)phenyl]propan-2-one has a molecular weight of 293.29 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methyl-2-pyridinyl)-3-[4-(trifluoromethyl)phenyl]propan-2-one is sourced from PubChem (CID 91435752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).