7-chloro-4-hydroxy-3-thiophen-3-yl-1H-1,5-naphthyridin-2-one

C12H7ClN2O2S — CID 54730149

IUPAC7-chloro-4-hydroxy-3-thiophen-3-yl-1H-1,5-naphthyridin-2-one
SMILESO=c1[nH]c2cc(Cl)cnc2c(O)c1-c1ccsc1
InChIInChI=1S/C12H7ClN2O2S/c13-7-3-8-10(14-4-7)11(16)9(12(17)15-8)6-1-2-18-5-6/h1-5H,(H2,15,16,17)
InChIKeyGFVXNSFVDJXXOU-UHFFFAOYSA-N
MW278.72 g/mol
LogP3.01
Rot. Bonds1

About 7-chloro-4-hydroxy-3-thiophen-3-yl-1H-1,5-naphthyridin-2-one

7-chloro-4-hydroxy-3-thiophen-3-yl-1H-1,5-naphthyridin-2-one (PubChem CID 54730149) has the molecular formula C12H7ClN2O2S and a molecular weight of 278.72 g/mol. Its IUPAC name is 7-chloro-4-hydroxy-3-thiophen-3-yl-1H-1,5-naphthyridin-2-one.

Molecular Properties

Compound Name7-chloro-4-hydroxy-3-thiophen-3-yl-1H-1,5-naphthyridin-2-one
PubChem CID54730149
Molecular FormulaC12H7ClN2O2S
Molecular Weight278.72 g/mol
Exact Mass277.99
IUPAC Name7-chloro-4-hydroxy-3-thiophen-3-yl-1H-1,5-naphthyridin-2-one
SMILESO=c1[nH]c2cc(Cl)cnc2c(O)c1-c1ccsc1
InChIInChI=1S/C12H7ClN2O2S/c13-7-3-8-10(14-4-7)11(16)9(12(17)15-8)6-1-2-18-5-6/h1-5H,(H2,15,16,17)
InChIKeyGFVXNSFVDJXXOU-UHFFFAOYSA-N
XLogP3.01
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.72
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-hydroxy-3-thiophen-3-yl-1H-1,5-naphthyridin-2-one?
The IUPAC name of 7-chloro-4-hydroxy-3-thiophen-3-yl-1H-1,5-naphthyridin-2-one (CID 54730149) is 7-chloro-4-hydroxy-3-thiophen-3-yl-1H-1,5-naphthyridin-2-one.
What is the SMILES notation for 7-chloro-4-hydroxy-3-thiophen-3-yl-1H-1,5-naphthyridin-2-one?
The canonical SMILES for 7-chloro-4-hydroxy-3-thiophen-3-yl-1H-1,5-naphthyridin-2-one is O=c1[nH]c2cc(Cl)cnc2c(O)c1-c1ccsc1.
What is the InChIKey of 7-chloro-4-hydroxy-3-thiophen-3-yl-1H-1,5-naphthyridin-2-one?
The InChIKey is GFVXNSFVDJXXOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClN2O2S/c13-7-3-8-10(14-4-7)11(16)9(12(17)15-8)6-1-2-18-5-6/h1-5H,(H2,15,16,17).
What are the key properties of 7-chloro-4-hydroxy-3-thiophen-3-yl-1H-1,5-naphthyridin-2-one?
7-chloro-4-hydroxy-3-thiophen-3-yl-1H-1,5-naphthyridin-2-one has a molecular weight of 278.72 g/mol, XLogP of 3.01, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-hydroxy-3-thiophen-3-yl-1H-1,5-naphthyridin-2-one is sourced from PubChem (CID 54730149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).