2-(5-acetyl-2-pyridinyl)-1-pyridin-3-ylethanone

C14H12N2O2 — CID 149217714

IUPAC2-(5-acetyl-2-pyridinyl)-1-pyridin-3-ylethanone
SMILESCC(=O)c1ccc(CC(=O)c2cccnc2)nc1
InChIInChI=1S/C14H12N2O2/c1-10(17)11-4-5-13(16-9-11)7-14(18)12-3-2-6-15-8-12/h2-6,8-9H,7H2,1H3
InChIKeyXHVDMQKQTQPBSC-UHFFFAOYSA-N
MW240.26 g/mol
LogP2.10
Rot. Bonds4

About 2-(5-acetyl-2-pyridinyl)-1-pyridin-3-ylethanone

2-(5-acetyl-2-pyridinyl)-1-pyridin-3-ylethanone (PubChem CID 149217714) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is 2-(5-acetyl-2-pyridinyl)-1-pyridin-3-ylethanone.

Molecular Properties

Compound Name2-(5-acetyl-2-pyridinyl)-1-pyridin-3-ylethanone
PubChem CID149217714
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC Name2-(5-acetyl-2-pyridinyl)-1-pyridin-3-ylethanone
SMILESCC(=O)c1ccc(CC(=O)c2cccnc2)nc1
InChIInChI=1S/C14H12N2O2/c1-10(17)11-4-5-13(16-9-11)7-14(18)12-3-2-6-15-8-12/h2-6,8-9H,7H2,1H3
InChIKeyXHVDMQKQTQPBSC-UHFFFAOYSA-N
XLogP2.10
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-pyridin-3-ylethanone;hydrochloride
CID 69233376
formonitrile;1-pyridin-3-ylethanone
CID 174750729
2-(5-acetyl-2-pyridinyl)acetic acid
CID 122715563
dimethyl carbonate;methyl 3-oxo-3-pyridin-3-ylpropanoate;1-pyridin-3-ylethanone
CID 160688200
2-(1-propan-2-ylpyrazol-3-yl)-1-pyridin-3-ylethanone
CID 64772423
2-(2-bromophenyl)-1-pyridin-3-ylethanone
CID 60797587
1-pyridin-3-ylpentan-1-one
CID 12648543
2-(4-tert-butyl-2,6-dimethylphenyl)-1-pyridin-3-ylethanone
CID 60924746
3-oxo-3-pyridin-3-ylpropanoyl chloride
CID 23438608
1-[4-(2-pyridin-3-ylethynyl)phenyl]ethanone
CID 86068222
1-[3-(pyridin-3-ylmethoxy)phenyl]ethanone
CID 24704115
1-pyridin-3-yl-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
CID 105081186

Frequently Asked Questions

What is the IUPAC name of 2-(5-acetyl-2-pyridinyl)-1-pyridin-3-ylethanone?
The IUPAC name of 2-(5-acetyl-2-pyridinyl)-1-pyridin-3-ylethanone (CID 149217714) is 2-(5-acetyl-2-pyridinyl)-1-pyridin-3-ylethanone.
What is the SMILES notation for 2-(5-acetyl-2-pyridinyl)-1-pyridin-3-ylethanone?
The canonical SMILES for 2-(5-acetyl-2-pyridinyl)-1-pyridin-3-ylethanone is CC(=O)c1ccc(CC(=O)c2cccnc2)nc1.
What is the InChIKey of 2-(5-acetyl-2-pyridinyl)-1-pyridin-3-ylethanone?
The InChIKey is XHVDMQKQTQPBSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2/c1-10(17)11-4-5-13(16-9-11)7-14(18)12-3-2-6-15-8-12/h2-6,8-9H,7H2,1H3.
What are the key properties of 2-(5-acetyl-2-pyridinyl)-1-pyridin-3-ylethanone?
2-(5-acetyl-2-pyridinyl)-1-pyridin-3-ylethanone has a molecular weight of 240.26 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-acetyl-2-pyridinyl)-1-pyridin-3-ylethanone is sourced from PubChem (CID 149217714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).