3-bromo-1-(3-chlorophenyl)-4-hydroxy-1,8-naphthyridin-2-one

C14H8BrClN2O2 — CID 54706809

IUPAC3-bromo-1-(3-chlorophenyl)-4-hydroxy-1,8-naphthyridin-2-one
SMILESO=c1c(Br)c(O)c2cccnc2n1-c1cccc(Cl)c1
InChIInChI=1S/C14H8BrClN2O2/c15-11-12(19)10-5-2-6-17-13(10)18(14(11)20)9-4-1-3-8(16)7-9/h1-7,19H
InChIKeyAYAQENFNOXJWLC-UHFFFAOYSA-N
MW351.59 g/mol
LogP3.51
Rot. Bonds1

About 3-bromo-1-(3-chlorophenyl)-4-hydroxy-1,8-naphthyridin-2-one

3-bromo-1-(3-chlorophenyl)-4-hydroxy-1,8-naphthyridin-2-one (PubChem CID 54706809) has the molecular formula C14H8BrClN2O2 and a molecular weight of 351.59 g/mol. Its IUPAC name is 3-bromo-1-(3-chlorophenyl)-4-hydroxy-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name3-bromo-1-(3-chlorophenyl)-4-hydroxy-1,8-naphthyridin-2-one
PubChem CID54706809
Molecular FormulaC14H8BrClN2O2
Molecular Weight351.59 g/mol
Exact Mass349.95
IUPAC Name3-bromo-1-(3-chlorophenyl)-4-hydroxy-1,8-naphthyridin-2-one
SMILESO=c1c(Br)c(O)c2cccnc2n1-c1cccc(Cl)c1
InChIInChI=1S/C14H8BrClN2O2/c15-11-12(19)10-5-2-6-17-13(10)18(14(11)20)9-4-1-3-8(16)7-9/h1-7,19H
InChIKeyAYAQENFNOXJWLC-UHFFFAOYSA-N
XLogP3.51
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.59
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-(3-chlorophenyl)-4-hydroxy-1,8-naphthyridin-2-one?
The IUPAC name of 3-bromo-1-(3-chlorophenyl)-4-hydroxy-1,8-naphthyridin-2-one (CID 54706809) is 3-bromo-1-(3-chlorophenyl)-4-hydroxy-1,8-naphthyridin-2-one.
What is the SMILES notation for 3-bromo-1-(3-chlorophenyl)-4-hydroxy-1,8-naphthyridin-2-one?
The canonical SMILES for 3-bromo-1-(3-chlorophenyl)-4-hydroxy-1,8-naphthyridin-2-one is O=c1c(Br)c(O)c2cccnc2n1-c1cccc(Cl)c1.
What is the InChIKey of 3-bromo-1-(3-chlorophenyl)-4-hydroxy-1,8-naphthyridin-2-one?
The InChIKey is AYAQENFNOXJWLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrClN2O2/c15-11-12(19)10-5-2-6-17-13(10)18(14(11)20)9-4-1-3-8(16)7-9/h1-7,19H.
What are the key properties of 3-bromo-1-(3-chlorophenyl)-4-hydroxy-1,8-naphthyridin-2-one?
3-bromo-1-(3-chlorophenyl)-4-hydroxy-1,8-naphthyridin-2-one has a molecular weight of 351.59 g/mol, XLogP of 3.51, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-(3-chlorophenyl)-4-hydroxy-1,8-naphthyridin-2-one is sourced from PubChem (CID 54706809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).