8-methyl-2-(trifluoromethyl)-6H-1,6-naphthyridin-5-one

C10H7F3N2O — CID 162604045

IUPAC8-methyl-2-(trifluoromethyl)-6H-1,6-naphthyridin-5-one
SMILESCc1c[nH]c(=O)c2ccc(C(F)(F)F)nc12
InChIInChI=1S/C10H7F3N2O/c1-5-4-14-9(16)6-2-3-7(10(11,12)13)15-8(5)6/h2-4H,1H3,(H,14,16)
InChIKeyVKZJGWVBFLGQEP-UHFFFAOYSA-N
MW228.17 g/mol
LogP2.25
Rot. Bonds

About 8-methyl-2-(trifluoromethyl)-6H-1,6-naphthyridin-5-one

8-methyl-2-(trifluoromethyl)-6H-1,6-naphthyridin-5-one (PubChem CID 162604045) has the molecular formula C10H7F3N2O and a molecular weight of 228.17 g/mol. Its IUPAC name is 8-methyl-2-(trifluoromethyl)-6H-1,6-naphthyridin-5-one.

Molecular Properties

Compound Name8-methyl-2-(trifluoromethyl)-6H-1,6-naphthyridin-5-one
PubChem CID162604045
Molecular FormulaC10H7F3N2O
Molecular Weight228.17 g/mol
Exact Mass228.05
IUPAC Name8-methyl-2-(trifluoromethyl)-6H-1,6-naphthyridin-5-one
SMILESCc1c[nH]c(=O)c2ccc(C(F)(F)F)nc12
InChIInChI=1S/C10H7F3N2O/c1-5-4-14-9(16)6-2-3-7(10(11,12)13)15-8(5)6/h2-4H,1H3,(H,14,16)
InChIKeyVKZJGWVBFLGQEP-UHFFFAOYSA-N
XLogP2.25
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.17
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-2-(trifluoromethyl)-6H-1,6-naphthyridin-5-one?
The IUPAC name of 8-methyl-2-(trifluoromethyl)-6H-1,6-naphthyridin-5-one (CID 162604045) is 8-methyl-2-(trifluoromethyl)-6H-1,6-naphthyridin-5-one.
What is the SMILES notation for 8-methyl-2-(trifluoromethyl)-6H-1,6-naphthyridin-5-one?
The canonical SMILES for 8-methyl-2-(trifluoromethyl)-6H-1,6-naphthyridin-5-one is Cc1c[nH]c(=O)c2ccc(C(F)(F)F)nc12.
What is the InChIKey of 8-methyl-2-(trifluoromethyl)-6H-1,6-naphthyridin-5-one?
The InChIKey is VKZJGWVBFLGQEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N2O/c1-5-4-14-9(16)6-2-3-7(10(11,12)13)15-8(5)6/h2-4H,1H3,(H,14,16).
What are the key properties of 8-methyl-2-(trifluoromethyl)-6H-1,6-naphthyridin-5-one?
8-methyl-2-(trifluoromethyl)-6H-1,6-naphthyridin-5-one has a molecular weight of 228.17 g/mol, XLogP of 2.25, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2-(trifluoromethyl)-6H-1,6-naphthyridin-5-one is sourced from PubChem (CID 162604045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).