3-bromo-5,6,7-trimethyl-1H-1,8-naphthyridin-2-one

C11H11BrN2O — CID 131701567

IUPAC3-bromo-5,6,7-trimethyl-1H-1,8-naphthyridin-2-one
SMILESCc1nc2[nH]c(=O)c(Br)cc2c(C)c1C
InChIInChI=1S/C11H11BrN2O/c1-5-6(2)8-4-9(12)11(15)14-10(8)13-7(5)3/h4H,1-3H3,(H,13,14,15)
InChIKeyNGLFVMKTIYMDLW-UHFFFAOYSA-N
MW267.13 g/mol
LogP2.61
Rot. Bonds

About 3-bromo-5,6,7-trimethyl-1H-1,8-naphthyridin-2-one

3-bromo-5,6,7-trimethyl-1H-1,8-naphthyridin-2-one (PubChem CID 131701567) has the molecular formula C11H11BrN2O and a molecular weight of 267.13 g/mol. Its IUPAC name is 3-bromo-5,6,7-trimethyl-1H-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name3-bromo-5,6,7-trimethyl-1H-1,8-naphthyridin-2-one
PubChem CID131701567
Molecular FormulaC11H11BrN2O
Molecular Weight267.13 g/mol
Exact Mass266.01
IUPAC Name3-bromo-5,6,7-trimethyl-1H-1,8-naphthyridin-2-one
SMILESCc1nc2[nH]c(=O)c(Br)cc2c(C)c1C
InChIInChI=1S/C11H11BrN2O/c1-5-6(2)8-4-9(12)11(15)14-10(8)13-7(5)3/h4H,1-3H3,(H,13,14,15)
InChIKeyNGLFVMKTIYMDLW-UHFFFAOYSA-N
XLogP2.61
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.13
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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
1-[2-(Dimethylamino)ethyl]-5,6,7-trimethyl-1,8-naphthyridin-2-one
CID 22753554
1-(2-aminoethyl)-5,7-dimethyl-1,8-naphthyridin-2(1H)-one
CID 23335372
5,7-Dimethyl-1-[2-(methylamino)ethyl]-1,8-naphthyridin-2-one
CID 23335383
1-[4-(Dimethylamino)butyl]-5,7-dimethyl-1,8-naphthyridin-2-one
CID 23335394
1-Ethyl-5,7-dimethyl-1,8-naphthyridin-2-one
CID 90668675
5,7-Bis(trifluoromethyl)-1,8-naphthyridin-2(1H)-one
CID 5709643
1-[3-(Dimethylamino)propyl]-5,7-dimethyl-1,8-naphthyridin-2-one
CID 90668678
N-(4,6-dimethyl-2-pyridinyl)acetamide
CID 223262
1,4,5,7-Tetramethyl-1,8-naphthyridin-2-one
CID 8006528

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5,6,7-trimethyl-1H-1,8-naphthyridin-2-one?
The IUPAC name of 3-bromo-5,6,7-trimethyl-1H-1,8-naphthyridin-2-one (CID 131701567) is 3-bromo-5,6,7-trimethyl-1H-1,8-naphthyridin-2-one.
What is the SMILES notation for 3-bromo-5,6,7-trimethyl-1H-1,8-naphthyridin-2-one?
The canonical SMILES for 3-bromo-5,6,7-trimethyl-1H-1,8-naphthyridin-2-one is Cc1nc2[nH]c(=O)c(Br)cc2c(C)c1C.
What is the InChIKey of 3-bromo-5,6,7-trimethyl-1H-1,8-naphthyridin-2-one?
The InChIKey is NGLFVMKTIYMDLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O/c1-5-6(2)8-4-9(12)11(15)14-10(8)13-7(5)3/h4H,1-3H3,(H,13,14,15).
What are the key properties of 3-bromo-5,6,7-trimethyl-1H-1,8-naphthyridin-2-one?
3-bromo-5,6,7-trimethyl-1H-1,8-naphthyridin-2-one has a molecular weight of 267.13 g/mol, XLogP of 2.61, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5,6,7-trimethyl-1H-1,8-naphthyridin-2-one is sourced from PubChem (CID 131701567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).