5-chloro-7-(trifluoromethyl)-1H-1,8-naphthyridin-2-one

C9H4ClF3N2O — CID 10586675

IUPAC5-chloro-7-(trifluoromethyl)-1H-1,8-naphthyridin-2-one
SMILESO=c1ccc2c(Cl)cc(C(F)(F)F)nc2[nH]1
InChIInChI=1S/C9H4ClF3N2O/c10-5-3-6(9(11,12)13)14-8-4(5)1-2-7(16)15-8/h1-3H,(H,14,15,16)
InChIKeyCQDNAPIGCGRQFO-UHFFFAOYSA-N
MW248.59 g/mol
LogP2.60
Rot. Bonds

About 5-chloro-7-(trifluoromethyl)-1H-1,8-naphthyridin-2-one

5-chloro-7-(trifluoromethyl)-1H-1,8-naphthyridin-2-one (PubChem CID 10586675) has the molecular formula C9H4ClF3N2O and a molecular weight of 248.59 g/mol. Its IUPAC name is 5-chloro-7-(trifluoromethyl)-1H-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name5-chloro-7-(trifluoromethyl)-1H-1,8-naphthyridin-2-one
PubChem CID10586675
Molecular FormulaC9H4ClF3N2O
Molecular Weight248.59 g/mol
Exact Mass248.00
IUPAC Name5-chloro-7-(trifluoromethyl)-1H-1,8-naphthyridin-2-one
SMILESO=c1ccc2c(Cl)cc(C(F)(F)F)nc2[nH]1
InChIInChI=1S/C9H4ClF3N2O/c10-5-3-6(9(11,12)13)14-8-4(5)1-2-7(16)15-8/h1-3H,(H,14,15,16)
InChIKeyCQDNAPIGCGRQFO-UHFFFAOYSA-N
XLogP2.60
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.59
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-7-(trifluoromethyl)-1H-1,8-naphthyridin-2-one?
The IUPAC name of 5-chloro-7-(trifluoromethyl)-1H-1,8-naphthyridin-2-one (CID 10586675) is 5-chloro-7-(trifluoromethyl)-1H-1,8-naphthyridin-2-one.
What is the SMILES notation for 5-chloro-7-(trifluoromethyl)-1H-1,8-naphthyridin-2-one?
The canonical SMILES for 5-chloro-7-(trifluoromethyl)-1H-1,8-naphthyridin-2-one is O=c1ccc2c(Cl)cc(C(F)(F)F)nc2[nH]1.
What is the InChIKey of 5-chloro-7-(trifluoromethyl)-1H-1,8-naphthyridin-2-one?
The InChIKey is CQDNAPIGCGRQFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4ClF3N2O/c10-5-3-6(9(11,12)13)14-8-4(5)1-2-7(16)15-8/h1-3H,(H,14,15,16).
What are the key properties of 5-chloro-7-(trifluoromethyl)-1H-1,8-naphthyridin-2-one?
5-chloro-7-(trifluoromethyl)-1H-1,8-naphthyridin-2-one has a molecular weight of 248.59 g/mol, XLogP of 2.60, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-7-(trifluoromethyl)-1H-1,8-naphthyridin-2-one is sourced from PubChem (CID 10586675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).