6-(1,1-difluoropropyl)-2-methyl-2,7-naphthyridin-1-one

C12H12F2N2O — CID 154670352

IUPAC6-(1,1-difluoropropyl)-2-methyl-2,7-naphthyridin-1-one
SMILESCCC(F)(F)c1cc2ccn(C)c(=O)c2cn1
InChIInChI=1S/C12H12F2N2O/c1-3-12(13,14)10-6-8-4-5-16(2)11(17)9(8)7-15-10/h4-7H,3H2,1-2H3
InChIKeyXVMCXJORDPRVKR-UHFFFAOYSA-N
MW238.24 g/mol
LogP2.44
Rot. Bonds2

About 6-(1,1-difluoropropyl)-2-methyl-2,7-naphthyridin-1-one

6-(1,1-difluoropropyl)-2-methyl-2,7-naphthyridin-1-one (PubChem CID 154670352) has the molecular formula C12H12F2N2O and a molecular weight of 238.24 g/mol. Its IUPAC name is 6-(1,1-difluoropropyl)-2-methyl-2,7-naphthyridin-1-one.

Molecular Properties

Compound Name6-(1,1-difluoropropyl)-2-methyl-2,7-naphthyridin-1-one
PubChem CID154670352
Molecular FormulaC12H12F2N2O
Molecular Weight238.24 g/mol
Exact Mass238.09
IUPAC Name6-(1,1-difluoropropyl)-2-methyl-2,7-naphthyridin-1-one
SMILESCCC(F)(F)c1cc2ccn(C)c(=O)c2cn1
InChIInChI=1S/C12H12F2N2O/c1-3-12(13,14)10-6-8-4-5-16(2)11(17)9(8)7-15-10/h4-7H,3H2,1-2H3
InChIKeyXVMCXJORDPRVKR-UHFFFAOYSA-N
XLogP2.44
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-2-(trideuteriomethyl)-2,7-naphthyridin-1-one
CID 155026829
2-methyl-6-[(4-methyl-2-pyridinyl)amino]-2,7-naphthyridin-1-one
CID 141289772
6-(2-amino-1,3-thiazol-5-yl)-2-methylisoquinolin-1-one
CID 168925221
6-chloro-2-(2,2,2-trifluoroethyl)-2,7-naphthyridin-1-one
CID 157038129
7-(1,1-difluoropropyl)-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine
CID 145255303
2-methyl-6-pentylisoquinolin-1-one
CID 67518276
7-(butylamino)-2-methylisoquinolin-1-one
CID 166187963
4-(1,1-difluoropropyl)-1,2-dimethylimidazole
CID 172586172
2-methyl-6-(methylamino)isoquinolin-1-one
CID 20799475
7-(hydroxymethyl)-6-(iodomethoxy)-2-methylisoquinolin-1-one
CID 59620305
methyl 6-methyl-5-oxo-2,6-naphthyridine-3-carboxylate
CID 154671680
6-ethenyl-2-methylisoquinolin-1-one
CID 154656300

Frequently Asked Questions

What is the IUPAC name of 6-(1,1-difluoropropyl)-2-methyl-2,7-naphthyridin-1-one?
The IUPAC name of 6-(1,1-difluoropropyl)-2-methyl-2,7-naphthyridin-1-one (CID 154670352) is 6-(1,1-difluoropropyl)-2-methyl-2,7-naphthyridin-1-one.
What is the SMILES notation for 6-(1,1-difluoropropyl)-2-methyl-2,7-naphthyridin-1-one?
The canonical SMILES for 6-(1,1-difluoropropyl)-2-methyl-2,7-naphthyridin-1-one is CCC(F)(F)c1cc2ccn(C)c(=O)c2cn1.
What is the InChIKey of 6-(1,1-difluoropropyl)-2-methyl-2,7-naphthyridin-1-one?
The InChIKey is XVMCXJORDPRVKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2O/c1-3-12(13,14)10-6-8-4-5-16(2)11(17)9(8)7-15-10/h4-7H,3H2,1-2H3.
What are the key properties of 6-(1,1-difluoropropyl)-2-methyl-2,7-naphthyridin-1-one?
6-(1,1-difluoropropyl)-2-methyl-2,7-naphthyridin-1-one has a molecular weight of 238.24 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,1-difluoropropyl)-2-methyl-2,7-naphthyridin-1-one is sourced from PubChem (CID 154670352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).