2-(3-amino-2-pyridinyl)-1-phenylethanone

C13H12N2O — CID 90333679

IUPAC2-(3-amino-2-pyridinyl)-1-phenylethanone
SMILESNc1cccnc1CC(=O)c1ccccc1
InChIInChI=1S/C13H12N2O/c14-11-7-4-8-15-12(11)9-13(16)10-5-2-1-3-6-10/h1-8H,9,14H2
InChIKeyQUFZFKNXFSOOAG-UHFFFAOYSA-N
MW212.25 g/mol
LogP2.09
Rot. Bonds3

About 2-(3-amino-2-pyridinyl)-1-phenylethanone

2-(3-amino-2-pyridinyl)-1-phenylethanone (PubChem CID 90333679) has the molecular formula C13H12N2O and a molecular weight of 212.25 g/mol. Its IUPAC name is 2-(3-amino-2-pyridinyl)-1-phenylethanone.

Molecular Properties

Compound Name2-(3-amino-2-pyridinyl)-1-phenylethanone
PubChem CID90333679
Molecular FormulaC13H12N2O
Molecular Weight212.25 g/mol
Exact Mass212.09
IUPAC Name2-(3-amino-2-pyridinyl)-1-phenylethanone
SMILESNc1cccnc1CC(=O)c1ccccc1
InChIInChI=1S/C13H12N2O/c14-11-7-4-8-15-12(11)9-13(16)10-5-2-1-3-6-10/h1-8H,9,14H2
InChIKeyQUFZFKNXFSOOAG-UHFFFAOYSA-N
XLogP2.09
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-amino-2-pyridinyl)acetic acid
CID 12716519
N-(2-phenacyl-3-pyridinyl)acetamide;hydrochloride
CID 172746297
1-phenyl-2-pyridin-2-ylethanone;hydrochloride
CID 22758250
1-phenyl-2-pyrido[2,3-d]pyridazin-8-ylethanone
CID 619121
1-phenyl-2-quinolin-8-ylethanone
CID 171934139
1-phenyl-2-(2-pyridin-2-ylphenyl)ethanone
CID 138970108
1-(3-amino-2-pyridinyl)-2-pyridin-2-ylethanone
CID 116613912
2-(2-amino-3-pyridinyl)-1-(3-amino-2-pyridinyl)ethanone
CID 116613939
1-phenyl-5-pyridin-2-ylpentane-1,3,5-trione
CID 117060151
tris(1,3-diphenylpropane-1,3-dione);1,10-phenanthroline;terbium
CID 161336621
1-phenyl-2-(1,3-thiazol-2-yl)ethanone;hydrobromide
CID 173018716
2-(3,5-diamino-1-methylpyrazol-4-yl)-1-phenylethanone
CID 1473558

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-2-pyridinyl)-1-phenylethanone?
The IUPAC name of 2-(3-amino-2-pyridinyl)-1-phenylethanone (CID 90333679) is 2-(3-amino-2-pyridinyl)-1-phenylethanone.
What is the SMILES notation for 2-(3-amino-2-pyridinyl)-1-phenylethanone?
The canonical SMILES for 2-(3-amino-2-pyridinyl)-1-phenylethanone is Nc1cccnc1CC(=O)c1ccccc1.
What is the InChIKey of 2-(3-amino-2-pyridinyl)-1-phenylethanone?
The InChIKey is QUFZFKNXFSOOAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O/c14-11-7-4-8-15-12(11)9-13(16)10-5-2-1-3-6-10/h1-8H,9,14H2.
What are the key properties of 2-(3-amino-2-pyridinyl)-1-phenylethanone?
2-(3-amino-2-pyridinyl)-1-phenylethanone has a molecular weight of 212.25 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-2-pyridinyl)-1-phenylethanone is sourced from PubChem (CID 90333679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).