7-chloro-3-iodo-1-methyl-1,6-naphthyridin-2-one

C9H6ClIN2O — CID 102144847

IUPAC7-chloro-3-iodo-1-methyl-1,6-naphthyridin-2-one
SMILESCn1c(=O)c(I)cc2cnc(Cl)cc21
InChIInChI=1S/C9H6ClIN2O/c1-13-7-3-8(10)12-4-5(7)2-6(11)9(13)14/h2-4H,1H3
InChIKeyNBPOVCUZDUNKTI-UHFFFAOYSA-N
MW320.52 g/mol
LogP2.19
Rot. Bonds

About 7-chloro-3-iodo-1-methyl-1,6-naphthyridin-2-one

7-chloro-3-iodo-1-methyl-1,6-naphthyridin-2-one (PubChem CID 102144847) has the molecular formula C9H6ClIN2O and a molecular weight of 320.52 g/mol. Its IUPAC name is 7-chloro-3-iodo-1-methyl-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name7-chloro-3-iodo-1-methyl-1,6-naphthyridin-2-one
PubChem CID102144847
Molecular FormulaC9H6ClIN2O
Molecular Weight320.52 g/mol
Exact Mass319.92
IUPAC Name7-chloro-3-iodo-1-methyl-1,6-naphthyridin-2-one
SMILESCn1c(=O)c(I)cc2cnc(Cl)cc21
InChIInChI=1S/C9H6ClIN2O/c1-13-7-3-8(10)12-4-5(7)2-6(11)9(13)14/h2-4H,1H3
InChIKeyNBPOVCUZDUNKTI-UHFFFAOYSA-N
XLogP2.19
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.52
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-iodo-1-methyl-1,6-naphthyridin-2-one?
The IUPAC name of 7-chloro-3-iodo-1-methyl-1,6-naphthyridin-2-one (CID 102144847) is 7-chloro-3-iodo-1-methyl-1,6-naphthyridin-2-one.
What is the SMILES notation for 7-chloro-3-iodo-1-methyl-1,6-naphthyridin-2-one?
The canonical SMILES for 7-chloro-3-iodo-1-methyl-1,6-naphthyridin-2-one is Cn1c(=O)c(I)cc2cnc(Cl)cc21.
What is the InChIKey of 7-chloro-3-iodo-1-methyl-1,6-naphthyridin-2-one?
The InChIKey is NBPOVCUZDUNKTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClIN2O/c1-13-7-3-8(10)12-4-5(7)2-6(11)9(13)14/h2-4H,1H3.
What are the key properties of 7-chloro-3-iodo-1-methyl-1,6-naphthyridin-2-one?
7-chloro-3-iodo-1-methyl-1,6-naphthyridin-2-one has a molecular weight of 320.52 g/mol, XLogP of 2.19, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-iodo-1-methyl-1,6-naphthyridin-2-one is sourced from PubChem (CID 102144847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).