1-(2-pyridin-4-yl-3-pyridinyl)ethanone

C12H10N2O — CID 155731304

IUPAC1-(2-pyridin-4-yl-3-pyridinyl)ethanone
SMILESCC(=O)c1cccnc1-c1ccncc1
InChIInChI=1S/C12H10N2O/c1-9(15)11-3-2-6-14-12(11)10-4-7-13-8-5-10/h2-8H,1H3
InChIKeyHTPKCRNDQTVSAU-UHFFFAOYSA-N
MW198.22 g/mol
LogP2.35
Rot. Bonds2

About 1-(2-pyridin-4-yl-3-pyridinyl)ethanone

1-(2-pyridin-4-yl-3-pyridinyl)ethanone (PubChem CID 155731304) has the molecular formula C12H10N2O and a molecular weight of 198.22 g/mol. Its IUPAC name is 1-(2-pyridin-4-yl-3-pyridinyl)ethanone.

Molecular Properties

Compound Name1-(2-pyridin-4-yl-3-pyridinyl)ethanone
PubChem CID155731304
Molecular FormulaC12H10N2O
Molecular Weight198.22 g/mol
Exact Mass198.08
IUPAC Name1-(2-pyridin-4-yl-3-pyridinyl)ethanone
SMILESCC(=O)c1cccnc1-c1ccncc1
InChIInChI=1S/C12H10N2O/c1-9(15)11-3-2-6-14-12(11)10-4-7-13-8-5-10/h2-8H,1H3
InChIKeyHTPKCRNDQTVSAU-UHFFFAOYSA-N
XLogP2.35
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

bis[2-(4-methylphenyl)-3-pyridinyl]methanone
CID 67746009
ethane;1-(2-methyl-3-pyridinyl)ethanone
CID 143815583
N-methyl-2-phenylpyridine-3-carboxamide
CID 123139602
propan-1-ol;1-(2-pyridin-2-yl-3-pyridinyl)ethanone
CID 142200499
1-[2-[methyl(pyridin-4-ylmethyl)amino]-3-pyridinyl]ethanone
CID 103721785
2-(4-propan-2-yloxyphenyl)pyridine-3-carboxylic acid
CID 82089202
3-[2-[(2-pyridin-4-ylpyridine-3-carbonyl)amino]ethyldisulfanyl]propanoic acid
CID 166425025
[4-hydroxy-1-(2-pyridin-4-ylpyridine-3-carbonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
CID 90074999
N-oxo-2-phenylpyridine-3-carboxamide
CID 87566165
2-(3-acetamidophenyl)pyridine-3-carboxylic acid
CID 53223643
ethyl 2-phenylpyridine-3-carboxylate
CID 10846916
bicyclo[2.2.0]hexa-1,3,5-triene;1-pyridin-2-ylethanone
CID 22757609

Frequently Asked Questions

What is the IUPAC name of 1-(2-pyridin-4-yl-3-pyridinyl)ethanone?
The IUPAC name of 1-(2-pyridin-4-yl-3-pyridinyl)ethanone (CID 155731304) is 1-(2-pyridin-4-yl-3-pyridinyl)ethanone.
What is the SMILES notation for 1-(2-pyridin-4-yl-3-pyridinyl)ethanone?
The canonical SMILES for 1-(2-pyridin-4-yl-3-pyridinyl)ethanone is CC(=O)c1cccnc1-c1ccncc1.
What is the InChIKey of 1-(2-pyridin-4-yl-3-pyridinyl)ethanone?
The InChIKey is HTPKCRNDQTVSAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O/c1-9(15)11-3-2-6-14-12(11)10-4-7-13-8-5-10/h2-8H,1H3.
What are the key properties of 1-(2-pyridin-4-yl-3-pyridinyl)ethanone?
1-(2-pyridin-4-yl-3-pyridinyl)ethanone has a molecular weight of 198.22 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-pyridin-4-yl-3-pyridinyl)ethanone is sourced from PubChem (CID 155731304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).