6-chloro-3-(3-chlorophenyl)-1H-1,7-naphthyridin-2-one

C14H8Cl2N2O — CID 45267794

IUPAC6-chloro-3-(3-chlorophenyl)-1H-1,7-naphthyridin-2-one
SMILESO=c1[nH]c2cnc(Cl)cc2cc1-c1cccc(Cl)c1
InChIInChI=1S/C14H8Cl2N2O/c15-10-3-1-2-8(4-10)11-5-9-6-13(16)17-7-12(9)18-14(11)19/h1-7H,(H,18,19)
InChIKeyGPQMWHWTSITWGJ-UHFFFAOYSA-N
MW291.14 g/mol
LogP3.90
Rot. Bonds1

About 6-chloro-3-(3-chlorophenyl)-1H-1,7-naphthyridin-2-one

6-chloro-3-(3-chlorophenyl)-1H-1,7-naphthyridin-2-one (PubChem CID 45267794) has the molecular formula C14H8Cl2N2O and a molecular weight of 291.14 g/mol. Its IUPAC name is 6-chloro-3-(3-chlorophenyl)-1H-1,7-naphthyridin-2-one.

Molecular Properties

Compound Name6-chloro-3-(3-chlorophenyl)-1H-1,7-naphthyridin-2-one
PubChem CID45267794
Molecular FormulaC14H8Cl2N2O
Molecular Weight291.14 g/mol
Exact Mass290.00
IUPAC Name6-chloro-3-(3-chlorophenyl)-1H-1,7-naphthyridin-2-one
SMILESO=c1[nH]c2cnc(Cl)cc2cc1-c1cccc(Cl)c1
InChIInChI=1S/C14H8Cl2N2O/c15-10-3-1-2-8(4-10)11-5-9-6-13(16)17-7-12(9)18-14(11)19/h1-7H,(H,18,19)
InChIKeyGPQMWHWTSITWGJ-UHFFFAOYSA-N
XLogP3.90
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.14
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 6-chloro-3-(3-chlorophenyl)-1H-1,7-naphthyridin-2-one?
The IUPAC name of 6-chloro-3-(3-chlorophenyl)-1H-1,7-naphthyridin-2-one (CID 45267794) is 6-chloro-3-(3-chlorophenyl)-1H-1,7-naphthyridin-2-one.
What is the SMILES notation for 6-chloro-3-(3-chlorophenyl)-1H-1,7-naphthyridin-2-one?
The canonical SMILES for 6-chloro-3-(3-chlorophenyl)-1H-1,7-naphthyridin-2-one is O=c1[nH]c2cnc(Cl)cc2cc1-c1cccc(Cl)c1.
What is the InChIKey of 6-chloro-3-(3-chlorophenyl)-1H-1,7-naphthyridin-2-one?
The InChIKey is GPQMWHWTSITWGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl2N2O/c15-10-3-1-2-8(4-10)11-5-9-6-13(16)17-7-12(9)18-14(11)19/h1-7H,(H,18,19).
What are the key properties of 6-chloro-3-(3-chlorophenyl)-1H-1,7-naphthyridin-2-one?
6-chloro-3-(3-chlorophenyl)-1H-1,7-naphthyridin-2-one has a molecular weight of 291.14 g/mol, XLogP of 3.90, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(3-chlorophenyl)-1H-1,7-naphthyridin-2-one is sourced from PubChem (CID 45267794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).