3-bromo-7-chloro-1-cyclopropyl-1,6-naphthyridin-2-one

C11H8BrClN2O — CID 171556438

IUPAC3-bromo-7-chloro-1-cyclopropyl-1,6-naphthyridin-2-one
SMILESO=c1c(Br)cc2cnc(Cl)cc2n1C1CC1
InChIInChI=1S/C11H8BrClN2O/c12-8-3-6-5-14-10(13)4-9(6)15(11(8)16)7-1-2-7/h3-5,7H,1-2H2
InChIKeyLYRHEKLTKVVZNW-UHFFFAOYSA-N
MW299.56 g/mol
LogP3.15
Rot. Bonds1

About 3-bromo-7-chloro-1-cyclopropyl-1,6-naphthyridin-2-one

3-bromo-7-chloro-1-cyclopropyl-1,6-naphthyridin-2-one (PubChem CID 171556438) has the molecular formula C11H8BrClN2O and a molecular weight of 299.56 g/mol. Its IUPAC name is 3-bromo-7-chloro-1-cyclopropyl-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name3-bromo-7-chloro-1-cyclopropyl-1,6-naphthyridin-2-one
PubChem CID171556438
Molecular FormulaC11H8BrClN2O
Molecular Weight299.56 g/mol
Exact Mass297.95
IUPAC Name3-bromo-7-chloro-1-cyclopropyl-1,6-naphthyridin-2-one
SMILESO=c1c(Br)cc2cnc(Cl)cc2n1C1CC1
InChIInChI=1S/C11H8BrClN2O/c12-8-3-6-5-14-10(13)4-9(6)15(11(8)16)7-1-2-7/h3-5,7H,1-2H2
InChIKeyLYRHEKLTKVVZNW-UHFFFAOYSA-N
XLogP3.15
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.56
LogP ≤ 53.15
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 3-bromo-7-chloro-1-cyclopropyl-1,6-naphthyridin-2-one?
The IUPAC name of 3-bromo-7-chloro-1-cyclopropyl-1,6-naphthyridin-2-one (CID 171556438) is 3-bromo-7-chloro-1-cyclopropyl-1,6-naphthyridin-2-one.
What is the SMILES notation for 3-bromo-7-chloro-1-cyclopropyl-1,6-naphthyridin-2-one?
The canonical SMILES for 3-bromo-7-chloro-1-cyclopropyl-1,6-naphthyridin-2-one is O=c1c(Br)cc2cnc(Cl)cc2n1C1CC1.
What is the InChIKey of 3-bromo-7-chloro-1-cyclopropyl-1,6-naphthyridin-2-one?
The InChIKey is LYRHEKLTKVVZNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrClN2O/c12-8-3-6-5-14-10(13)4-9(6)15(11(8)16)7-1-2-7/h3-5,7H,1-2H2.
What are the key properties of 3-bromo-7-chloro-1-cyclopropyl-1,6-naphthyridin-2-one?
3-bromo-7-chloro-1-cyclopropyl-1,6-naphthyridin-2-one has a molecular weight of 299.56 g/mol, XLogP of 3.15, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-7-chloro-1-cyclopropyl-1,6-naphthyridin-2-one is sourced from PubChem (CID 171556438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).