3-ethyl-5,6-difluoro-7-methyl-1H-1,8-naphthyridin-2-one

C11H10F2N2O — CID 118005244

IUPAC3-ethyl-5,6-difluoro-7-methyl-1H-1,8-naphthyridin-2-one
SMILESCCc1cc2c(F)c(F)c(C)nc2[nH]c1=O
InChIInChI=1S/C11H10F2N2O/c1-3-6-4-7-9(13)8(12)5(2)14-10(7)15-11(6)16/h4H,3H2,1-2H3,(H,14,15,16)
InChIKeyLXNVYIGEAFKORH-UHFFFAOYSA-N
MW224.21 g/mol
LogP2.07
Rot. Bonds1

About 3-ethyl-5,6-difluoro-7-methyl-1H-1,8-naphthyridin-2-one

3-ethyl-5,6-difluoro-7-methyl-1H-1,8-naphthyridin-2-one (PubChem CID 118005244) has the molecular formula C11H10F2N2O and a molecular weight of 224.21 g/mol. Its IUPAC name is 3-ethyl-5,6-difluoro-7-methyl-1H-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name3-ethyl-5,6-difluoro-7-methyl-1H-1,8-naphthyridin-2-one
PubChem CID118005244
Molecular FormulaC11H10F2N2O
Molecular Weight224.21 g/mol
Exact Mass224.08
IUPAC Name3-ethyl-5,6-difluoro-7-methyl-1H-1,8-naphthyridin-2-one
SMILESCCc1cc2c(F)c(F)c(C)nc2[nH]c1=O
InChIInChI=1S/C11H10F2N2O/c1-3-6-4-7-9(13)8(12)5(2)14-10(7)15-11(6)16/h4H,3H2,1-2H3,(H,14,15,16)
InChIKeyLXNVYIGEAFKORH-UHFFFAOYSA-N
XLogP2.07
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.21
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4,6-dimethyl-2-pyridinyl)benzamide
CID 124524
7-Amino-1,8-naphthyridin-2(1H)-one
CID 5464536
(E)-2-cyano-3-(4-fluorophenyl)-N-(6-methylpyridin-2-yl)acrylamide
CID 5548030
N-(4,6-dimethylpyridin-2-yl)-3-fluorobenzamide
CID 2837038
7-Amino-4-methyl-1,8-naphthyridin-2-ol
CID 5354050
5,7-dimethyl-1,8-naphthyridin-2(1H)-one
CID 5374405
7-Methyl-1,8-naphthyridin-2-ol
CID 5373675
N-(4,6-dimethylpyridin-2-yl)-2-fluorobenzamide
CID 790337
3,5-difluoro-N-(6-methylpyridin-2-yl)benzamide
CID 24246632
2,5-difluoro-N-(6-methylpyridin-2-yl)benzamide
CID 574934
4-fluoro-N-(6-methylpyridin-2-yl)benzamide
CID 790348
1-Ethyl-5,7-dimethyl-1,8-naphthyridin-2-one
CID 90668675

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5,6-difluoro-7-methyl-1H-1,8-naphthyridin-2-one?
The IUPAC name of 3-ethyl-5,6-difluoro-7-methyl-1H-1,8-naphthyridin-2-one (CID 118005244) is 3-ethyl-5,6-difluoro-7-methyl-1H-1,8-naphthyridin-2-one.
What is the SMILES notation for 3-ethyl-5,6-difluoro-7-methyl-1H-1,8-naphthyridin-2-one?
The canonical SMILES for 3-ethyl-5,6-difluoro-7-methyl-1H-1,8-naphthyridin-2-one is CCc1cc2c(F)c(F)c(C)nc2[nH]c1=O.
What is the InChIKey of 3-ethyl-5,6-difluoro-7-methyl-1H-1,8-naphthyridin-2-one?
The InChIKey is LXNVYIGEAFKORH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N2O/c1-3-6-4-7-9(13)8(12)5(2)14-10(7)15-11(6)16/h4H,3H2,1-2H3,(H,14,15,16).
What are the key properties of 3-ethyl-5,6-difluoro-7-methyl-1H-1,8-naphthyridin-2-one?
3-ethyl-5,6-difluoro-7-methyl-1H-1,8-naphthyridin-2-one has a molecular weight of 224.21 g/mol, XLogP of 2.07, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5,6-difluoro-7-methyl-1H-1,8-naphthyridin-2-one is sourced from PubChem (CID 118005244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).