2-chloro-6-ethyl-8,8-dimethyl-7H-1,6-naphthyridin-5-one

C12H15ClN2O — CID 87516822

IUPAC2-chloro-6-ethyl-8,8-dimethyl-7H-1,6-naphthyridin-5-one
SMILESCCN1CC(C)(C)c2nc(Cl)ccc2C1=O
InChIInChI=1S/C12H15ClN2O/c1-4-15-7-12(2,3)10-8(11(15)16)5-6-9(13)14-10/h5-6H,4,7H2,1-3H3
InChIKeyATGCXSHLRUNHBC-UHFFFAOYSA-N
MW238.72 g/mol
LogP2.49
Rot. Bonds1

About 2-chloro-6-ethyl-8,8-dimethyl-7H-1,6-naphthyridin-5-one

2-chloro-6-ethyl-8,8-dimethyl-7H-1,6-naphthyridin-5-one (PubChem CID 87516822) has the molecular formula C12H15ClN2O and a molecular weight of 238.72 g/mol. Its IUPAC name is 2-chloro-6-ethyl-8,8-dimethyl-7H-1,6-naphthyridin-5-one.

Molecular Properties

Compound Name2-chloro-6-ethyl-8,8-dimethyl-7H-1,6-naphthyridin-5-one
PubChem CID87516822
Molecular FormulaC12H15ClN2O
Molecular Weight238.72 g/mol
Exact Mass238.09
IUPAC Name2-chloro-6-ethyl-8,8-dimethyl-7H-1,6-naphthyridin-5-one
SMILESCCN1CC(C)(C)c2nc(Cl)ccc2C1=O
InChIInChI=1S/C12H15ClN2O/c1-4-15-7-12(2,3)10-8(11(15)16)5-6-9(13)14-10/h5-6H,4,7H2,1-3H3
InChIKeyATGCXSHLRUNHBC-UHFFFAOYSA-N
XLogP2.49
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.72
LogP ≤ 52.49
H-Bond Donors ≤ 50
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 2-chloro-6-ethyl-8,8-dimethyl-7H-1,6-naphthyridin-5-one?
The IUPAC name of 2-chloro-6-ethyl-8,8-dimethyl-7H-1,6-naphthyridin-5-one (CID 87516822) is 2-chloro-6-ethyl-8,8-dimethyl-7H-1,6-naphthyridin-5-one.
What is the SMILES notation for 2-chloro-6-ethyl-8,8-dimethyl-7H-1,6-naphthyridin-5-one?
The canonical SMILES for 2-chloro-6-ethyl-8,8-dimethyl-7H-1,6-naphthyridin-5-one is CCN1CC(C)(C)c2nc(Cl)ccc2C1=O.
What is the InChIKey of 2-chloro-6-ethyl-8,8-dimethyl-7H-1,6-naphthyridin-5-one?
The InChIKey is ATGCXSHLRUNHBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O/c1-4-15-7-12(2,3)10-8(11(15)16)5-6-9(13)14-10/h5-6H,4,7H2,1-3H3.
What are the key properties of 2-chloro-6-ethyl-8,8-dimethyl-7H-1,6-naphthyridin-5-one?
2-chloro-6-ethyl-8,8-dimethyl-7H-1,6-naphthyridin-5-one has a molecular weight of 238.72 g/mol, XLogP of 2.49, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-ethyl-8,8-dimethyl-7H-1,6-naphthyridin-5-one is sourced from PubChem (CID 87516822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).