9-chloro-1-methyl-1,10-phenanthrolin-2-one

C13H9ClN2O — CID 2847540

IUPAC9-chloro-1-methyl-1,10-phenanthrolin-2-one
SMILESCn1c(=O)ccc2ccc3ccc(Cl)nc3c21
InChIInChI=1S/C13H9ClN2O/c1-16-11(17)7-5-9-3-2-8-4-6-10(14)15-12(8)13(9)16/h2-7H,1H3
InChIKeyYXXDYYVBJXXVFC-UHFFFAOYSA-N
MW244.68 g/mol
LogP2.74
Rot. Bonds

About 9-chloro-1-methyl-1,10-phenanthrolin-2-one

9-chloro-1-methyl-1,10-phenanthrolin-2-one (PubChem CID 2847540) has the molecular formula C13H9ClN2O and a molecular weight of 244.68 g/mol. Its IUPAC name is 9-chloro-1-methyl-1,10-phenanthrolin-2-one.

Molecular Properties

Compound Name9-chloro-1-methyl-1,10-phenanthrolin-2-one
PubChem CID2847540
Molecular FormulaC13H9ClN2O
Molecular Weight244.68 g/mol
Exact Mass244.04
IUPAC Name9-chloro-1-methyl-1,10-phenanthrolin-2-one
SMILESCn1c(=O)ccc2ccc3ccc(Cl)nc3c21
InChIInChI=1S/C13H9ClN2O/c1-16-11(17)7-5-9-3-2-8-4-6-10(14)15-12(8)13(9)16/h2-7H,1H3
InChIKeyYXXDYYVBJXXVFC-UHFFFAOYSA-N
XLogP2.74
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.68
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-chloro-1-methyl-1,10-phenanthrolin-2-one?
The IUPAC name of 9-chloro-1-methyl-1,10-phenanthrolin-2-one (CID 2847540) is 9-chloro-1-methyl-1,10-phenanthrolin-2-one.
What is the SMILES notation for 9-chloro-1-methyl-1,10-phenanthrolin-2-one?
The canonical SMILES for 9-chloro-1-methyl-1,10-phenanthrolin-2-one is Cn1c(=O)ccc2ccc3ccc(Cl)nc3c21.
What is the InChIKey of 9-chloro-1-methyl-1,10-phenanthrolin-2-one?
The InChIKey is YXXDYYVBJXXVFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2O/c1-16-11(17)7-5-9-3-2-8-4-6-10(14)15-12(8)13(9)16/h2-7H,1H3.
What are the key properties of 9-chloro-1-methyl-1,10-phenanthrolin-2-one?
9-chloro-1-methyl-1,10-phenanthrolin-2-one has a molecular weight of 244.68 g/mol, XLogP of 2.74, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-chloro-1-methyl-1,10-phenanthrolin-2-one is sourced from PubChem (CID 2847540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).