1-(1,6-naphthyridin-5-yl)ethanone

C10H8N2O — CID 130047665

IUPAC1-(1,6-naphthyridin-5-yl)ethanone
SMILESCC(=O)c1nccc2ncccc12
InChIInChI=1S/C10H8N2O/c1-7(13)10-8-3-2-5-11-9(8)4-6-12-10/h2-6H,1H3
InChIKeyYMYSWBWEDSAOHS-UHFFFAOYSA-N
MW172.19 g/mol
LogP1.83
Rot. Bonds1

About 1-(1,6-naphthyridin-5-yl)ethanone

1-(1,6-naphthyridin-5-yl)ethanone (PubChem CID 130047665) has the molecular formula C10H8N2O and a molecular weight of 172.19 g/mol. Its IUPAC name is 1-(1,6-naphthyridin-5-yl)ethanone.

Molecular Properties

Compound Name1-(1,6-naphthyridin-5-yl)ethanone
PubChem CID130047665
Molecular FormulaC10H8N2O
Molecular Weight172.19 g/mol
Exact Mass172.06
IUPAC Name1-(1,6-naphthyridin-5-yl)ethanone
SMILESCC(=O)c1nccc2ncccc12
InChIInChI=1S/C10H8N2O/c1-7(13)10-8-3-2-5-11-9(8)4-6-12-10/h2-6H,1H3
InChIKeyYMYSWBWEDSAOHS-UHFFFAOYSA-N
XLogP1.83
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.19
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl(1,6-naphthyridine-5-carbonyl)amino]acetic acid
CID 166372467
1-(3-iodo-2-pyridinyl)ethanone
CID 69164908
1-(3-acetylpyrazin-2-yl)ethanone
CID 22166162
(3-methyl-2-pyridinyl)-quinolin-5-ylmethanone
CID 81220476
1-(3-pyrimidin-2-ylpyrazin-2-yl)ethanone
CID 155167120
(2-acetyl-4-methoxy-3-pyridinyl) acetate
CID 58914368
1-thieno[3,2-c]pyridin-4-ylethanone
CID 130047659
5-methoxy-1,6-naphthyridine
CID 67055577
1-furo[3,2-b]pyridin-2-ylethanone
CID 84764333
1-([1,2]oxazolo[3,4-b]pyridin-3-yl)ethanone
CID 71435116
1-(3-hydroxy-2-pyridinyl)ethanone;methyl formate
CID 142181974
1-(3,4-dimethyl-2-pyridinyl)ethanone
CID 23003457

Frequently Asked Questions

What is the IUPAC name of 1-(1,6-naphthyridin-5-yl)ethanone?
The IUPAC name of 1-(1,6-naphthyridin-5-yl)ethanone (CID 130047665) is 1-(1,6-naphthyridin-5-yl)ethanone.
What is the SMILES notation for 1-(1,6-naphthyridin-5-yl)ethanone?
The canonical SMILES for 1-(1,6-naphthyridin-5-yl)ethanone is CC(=O)c1nccc2ncccc12.
What is the InChIKey of 1-(1,6-naphthyridin-5-yl)ethanone?
The InChIKey is YMYSWBWEDSAOHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O/c1-7(13)10-8-3-2-5-11-9(8)4-6-12-10/h2-6H,1H3.
What are the key properties of 1-(1,6-naphthyridin-5-yl)ethanone?
1-(1,6-naphthyridin-5-yl)ethanone has a molecular weight of 172.19 g/mol, XLogP of 1.83, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,6-naphthyridin-5-yl)ethanone is sourced from PubChem (CID 130047665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).