2-pyridin-3-yl-1-pyrimidin-5-ylethanone

C11H9N3O — CID 62553059

IUPAC2-pyridin-3-yl-1-pyrimidin-5-ylethanone
SMILESO=C(Cc1cccnc1)c1cncnc1
InChIInChI=1S/C11H9N3O/c15-11(10-6-13-8-14-7-10)4-9-2-1-3-12-5-9/h1-3,5-8H,4H2
InChIKeyKOBAONYTPVVHON-UHFFFAOYSA-N
MW199.21 g/mol
LogP1.30
Rot. Bonds3

About 2-pyridin-3-yl-1-pyrimidin-5-ylethanone

2-pyridin-3-yl-1-pyrimidin-5-ylethanone (PubChem CID 62553059) has the molecular formula C11H9N3O and a molecular weight of 199.21 g/mol. Its IUPAC name is 2-pyridin-3-yl-1-pyrimidin-5-ylethanone.

Molecular Properties

Compound Name2-pyridin-3-yl-1-pyrimidin-5-ylethanone
PubChem CID62553059
Molecular FormulaC11H9N3O
Molecular Weight199.21 g/mol
Exact Mass199.07
IUPAC Name2-pyridin-3-yl-1-pyrimidin-5-ylethanone
SMILESO=C(Cc1cccnc1)c1cncnc1
InChIInChI=1S/C11H9N3O/c15-11(10-6-13-8-14-7-10)4-9-2-1-3-12-5-9/h1-3,5-8H,4H2
InChIKeyKOBAONYTPVVHON-UHFFFAOYSA-N
XLogP1.30
TPSA55.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dimethylphenyl)-2-pyridin-3-ylethanone
CID 62548685
1-(3,4-difluorophenyl)-2-pyridin-3-ylethanone
CID 62800700
1-(4-ethylsulfanylphenyl)-2-pyridin-3-ylethanone
CID 106847990
1-(5-iodothiophen-3-yl)-2-pyridin-3-ylethanone
CID 115799235
CID 66868100
CID 66868100
2-pyridin-3-ylacetyl chloride
CID 14697475
1-(1-phenylpyrazol-4-yl)-2-pyridin-3-ylethanone
CID 105127838
1-(3-bromo-5-fluorophenyl)-2-pyridin-3-ylethanone
CID 104735987
1-(4-bromo-3-fluorophenyl)-2-pyridin-3-ylethanone
CID 115799223
1-(4-cyclobutylphenyl)-2-pyridin-3-ylethanone
CID 116505569
2-(3-fluorophenyl)-1-pyridin-3-ylethanone
CID 60797988
lithium;hydride;2-pyridin-3-ylacetic acid
CID 173026035

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-3-yl-1-pyrimidin-5-ylethanone?
The IUPAC name of 2-pyridin-3-yl-1-pyrimidin-5-ylethanone (CID 62553059) is 2-pyridin-3-yl-1-pyrimidin-5-ylethanone.
What is the SMILES notation for 2-pyridin-3-yl-1-pyrimidin-5-ylethanone?
The canonical SMILES for 2-pyridin-3-yl-1-pyrimidin-5-ylethanone is O=C(Cc1cccnc1)c1cncnc1.
What is the InChIKey of 2-pyridin-3-yl-1-pyrimidin-5-ylethanone?
The InChIKey is KOBAONYTPVVHON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O/c15-11(10-6-13-8-14-7-10)4-9-2-1-3-12-5-9/h1-3,5-8H,4H2.
What are the key properties of 2-pyridin-3-yl-1-pyrimidin-5-ylethanone?
2-pyridin-3-yl-1-pyrimidin-5-ylethanone has a molecular weight of 199.21 g/mol, XLogP of 1.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-yl-1-pyrimidin-5-ylethanone is sourced from PubChem (CID 62553059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).