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

C12H15ClN2O — CID 170254370

IUPAC2-chloro-5,5,8,8-tetramethyl-6H-1,6-naphthyridin-7-one
SMILESCC1(C)NC(=O)C(C)(C)c2nc(Cl)ccc21
InChIInChI=1S/C12H15ClN2O/c1-11(2)9-7(5-6-8(13)14-9)12(3,4)15-10(11)16/h5-6H,1-4H3,(H,15,16)
InChIKeyDVNBNCYGHNKIBC-UHFFFAOYSA-N
MW238.72 g/mol
LogP2.38
Rot. Bonds

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

2-chloro-5,5,8,8-tetramethyl-6H-1,6-naphthyridin-7-one (PubChem CID 170254370) has the molecular formula C12H15ClN2O and a molecular weight of 238.72 g/mol. Its IUPAC name is 2-chloro-5,5,8,8-tetramethyl-6H-1,6-naphthyridin-7-one.

Molecular Properties

Compound Name2-chloro-5,5,8,8-tetramethyl-6H-1,6-naphthyridin-7-one
PubChem CID170254370
Molecular FormulaC12H15ClN2O
Molecular Weight238.72 g/mol
Exact Mass238.09
IUPAC Name2-chloro-5,5,8,8-tetramethyl-6H-1,6-naphthyridin-7-one
SMILESCC1(C)NC(=O)C(C)(C)c2nc(Cl)ccc21
InChIInChI=1S/C12H15ClN2O/c1-11(2)9-7(5-6-8(13)14-9)12(3,4)15-10(11)16/h5-6H,1-4H3,(H,15,16)
InChIKeyDVNBNCYGHNKIBC-UHFFFAOYSA-N
XLogP2.38
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.72
LogP ≤ 52.38
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 2-chloro-5,5,8,8-tetramethyl-6H-1,6-naphthyridin-7-one?
The IUPAC name of 2-chloro-5,5,8,8-tetramethyl-6H-1,6-naphthyridin-7-one (CID 170254370) is 2-chloro-5,5,8,8-tetramethyl-6H-1,6-naphthyridin-7-one.
What is the SMILES notation for 2-chloro-5,5,8,8-tetramethyl-6H-1,6-naphthyridin-7-one?
The canonical SMILES for 2-chloro-5,5,8,8-tetramethyl-6H-1,6-naphthyridin-7-one is CC1(C)NC(=O)C(C)(C)c2nc(Cl)ccc21.
What is the InChIKey of 2-chloro-5,5,8,8-tetramethyl-6H-1,6-naphthyridin-7-one?
The InChIKey is DVNBNCYGHNKIBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O/c1-11(2)9-7(5-6-8(13)14-9)12(3,4)15-10(11)16/h5-6H,1-4H3,(H,15,16).
What are the key properties of 2-chloro-5,5,8,8-tetramethyl-6H-1,6-naphthyridin-7-one?
2-chloro-5,5,8,8-tetramethyl-6H-1,6-naphthyridin-7-one has a molecular weight of 238.72 g/mol, XLogP of 2.38, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5,5,8,8-tetramethyl-6H-1,6-naphthyridin-7-one is sourced from PubChem (CID 170254370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).