7-chloro-3-(2,6-difluorophenyl)-1-propan-2-yl-1,6-naphthyridin-2-one

C17H13ClF2N2O — CID 118400066

IUPAC7-chloro-3-(2,6-difluorophenyl)-1-propan-2-yl-1,6-naphthyridin-2-one
SMILESCC(C)n1c(=O)c(-c2c(F)cccc2F)cc2cnc(Cl)cc21
InChIInChI=1S/C17H13ClF2N2O/c1-9(2)22-14-7-15(18)21-8-10(14)6-11(17(22)23)16-12(19)4-3-5-13(16)20/h3-9H,1-2H3
InChIKeyILASGBDOLKODOY-UHFFFAOYSA-N
MW334.75 g/mol
LogP4.58
Rot. Bonds2

About 7-chloro-3-(2,6-difluorophenyl)-1-propan-2-yl-1,6-naphthyridin-2-one

7-chloro-3-(2,6-difluorophenyl)-1-propan-2-yl-1,6-naphthyridin-2-one (PubChem CID 118400066) has the molecular formula C17H13ClF2N2O and a molecular weight of 334.75 g/mol. Its IUPAC name is 7-chloro-3-(2,6-difluorophenyl)-1-propan-2-yl-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name7-chloro-3-(2,6-difluorophenyl)-1-propan-2-yl-1,6-naphthyridin-2-one
PubChem CID118400066
Molecular FormulaC17H13ClF2N2O
Molecular Weight334.75 g/mol
Exact Mass334.07
IUPAC Name7-chloro-3-(2,6-difluorophenyl)-1-propan-2-yl-1,6-naphthyridin-2-one
SMILESCC(C)n1c(=O)c(-c2c(F)cccc2F)cc2cnc(Cl)cc21
InChIInChI=1S/C17H13ClF2N2O/c1-9(2)22-14-7-15(18)21-8-10(14)6-11(17(22)23)16-12(19)4-3-5-13(16)20/h3-9H,1-2H3
InChIKeyILASGBDOLKODOY-UHFFFAOYSA-N
XLogP4.58
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.75
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-(2,6-difluorophenyl)-1-propan-2-yl-1,6-naphthyridin-2-one?
The IUPAC name of 7-chloro-3-(2,6-difluorophenyl)-1-propan-2-yl-1,6-naphthyridin-2-one (CID 118400066) is 7-chloro-3-(2,6-difluorophenyl)-1-propan-2-yl-1,6-naphthyridin-2-one.
What is the SMILES notation for 7-chloro-3-(2,6-difluorophenyl)-1-propan-2-yl-1,6-naphthyridin-2-one?
The canonical SMILES for 7-chloro-3-(2,6-difluorophenyl)-1-propan-2-yl-1,6-naphthyridin-2-one is CC(C)n1c(=O)c(-c2c(F)cccc2F)cc2cnc(Cl)cc21.
What is the InChIKey of 7-chloro-3-(2,6-difluorophenyl)-1-propan-2-yl-1,6-naphthyridin-2-one?
The InChIKey is ILASGBDOLKODOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClF2N2O/c1-9(2)22-14-7-15(18)21-8-10(14)6-11(17(22)23)16-12(19)4-3-5-13(16)20/h3-9H,1-2H3.
What are the key properties of 7-chloro-3-(2,6-difluorophenyl)-1-propan-2-yl-1,6-naphthyridin-2-one?
7-chloro-3-(2,6-difluorophenyl)-1-propan-2-yl-1,6-naphthyridin-2-one has a molecular weight of 334.75 g/mol, XLogP of 4.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-(2,6-difluorophenyl)-1-propan-2-yl-1,6-naphthyridin-2-one is sourced from PubChem (CID 118400066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).