7-chloro-1-(2,4-difluorophenyl)-2-ethyl-6-fluoro-1,8-naphthyridin-4-one

C16H10ClF3N2O — CID 19090512

IUPAC7-chloro-1-(2,4-difluorophenyl)-2-ethyl-6-fluoro-1,8-naphthyridin-4-one
SMILESCCc1cc(=O)c2cc(F)c(Cl)nc2n1-c1ccc(F)cc1F
InChIInChI=1S/C16H10ClF3N2O/c1-2-9-6-14(23)10-7-12(20)15(17)21-16(10)22(9)13-4-3-8(18)5-11(13)19/h3-7H,2H2,1H3
InChIKeyWNAJWUGOOZEKSK-UHFFFAOYSA-N
MW338.72 g/mol
LogP4.02
Rot. Bonds2

About 7-chloro-1-(2,4-difluorophenyl)-2-ethyl-6-fluoro-1,8-naphthyridin-4-one

7-chloro-1-(2,4-difluorophenyl)-2-ethyl-6-fluoro-1,8-naphthyridin-4-one (PubChem CID 19090512) has the molecular formula C16H10ClF3N2O and a molecular weight of 338.72 g/mol. Its IUPAC name is 7-chloro-1-(2,4-difluorophenyl)-2-ethyl-6-fluoro-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name7-chloro-1-(2,4-difluorophenyl)-2-ethyl-6-fluoro-1,8-naphthyridin-4-one
PubChem CID19090512
Molecular FormulaC16H10ClF3N2O
Molecular Weight338.72 g/mol
Exact Mass338.04
IUPAC Name7-chloro-1-(2,4-difluorophenyl)-2-ethyl-6-fluoro-1,8-naphthyridin-4-one
SMILESCCc1cc(=O)c2cc(F)c(Cl)nc2n1-c1ccc(F)cc1F
InChIInChI=1S/C16H10ClF3N2O/c1-2-9-6-14(23)10-7-12(20)15(17)21-16(10)22(9)13-4-3-8(18)5-11(13)19/h3-7H,2H2,1H3
InChIKeyWNAJWUGOOZEKSK-UHFFFAOYSA-N
XLogP4.02
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.72
LogP ≤ 54.02
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-1-(2,4-difluorophenyl)-2-ethyl-6-fluoro-1,8-naphthyridin-4-one?
The IUPAC name of 7-chloro-1-(2,4-difluorophenyl)-2-ethyl-6-fluoro-1,8-naphthyridin-4-one (CID 19090512) is 7-chloro-1-(2,4-difluorophenyl)-2-ethyl-6-fluoro-1,8-naphthyridin-4-one.
What is the SMILES notation for 7-chloro-1-(2,4-difluorophenyl)-2-ethyl-6-fluoro-1,8-naphthyridin-4-one?
The canonical SMILES for 7-chloro-1-(2,4-difluorophenyl)-2-ethyl-6-fluoro-1,8-naphthyridin-4-one is CCc1cc(=O)c2cc(F)c(Cl)nc2n1-c1ccc(F)cc1F.
What is the InChIKey of 7-chloro-1-(2,4-difluorophenyl)-2-ethyl-6-fluoro-1,8-naphthyridin-4-one?
The InChIKey is WNAJWUGOOZEKSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClF3N2O/c1-2-9-6-14(23)10-7-12(20)15(17)21-16(10)22(9)13-4-3-8(18)5-11(13)19/h3-7H,2H2,1H3.
What are the key properties of 7-chloro-1-(2,4-difluorophenyl)-2-ethyl-6-fluoro-1,8-naphthyridin-4-one?
7-chloro-1-(2,4-difluorophenyl)-2-ethyl-6-fluoro-1,8-naphthyridin-4-one has a molecular weight of 338.72 g/mol, XLogP of 4.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-(2,4-difluorophenyl)-2-ethyl-6-fluoro-1,8-naphthyridin-4-one is sourced from PubChem (CID 19090512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).