2-(2-amino-3-pyridinyl)-1-(3-chloro-2-pyridinyl)ethanone

C12H10ClN3O — CID 103443047

IUPAC2-(2-amino-3-pyridinyl)-1-(3-chloro-2-pyridinyl)ethanone
SMILESNc1ncccc1CC(=O)c1ncccc1Cl
InChIInChI=1S/C12H10ClN3O/c13-9-4-2-5-15-11(9)10(17)7-8-3-1-6-16-12(8)14/h1-6H,7H2,(H2,14,16)
InChIKeyKTVLKLNGWADMFE-UHFFFAOYSA-N
MW247.69 g/mol
LogP2.14
Rot. Bonds3

About 2-(2-amino-3-pyridinyl)-1-(3-chloro-2-pyridinyl)ethanone

2-(2-amino-3-pyridinyl)-1-(3-chloro-2-pyridinyl)ethanone (PubChem CID 103443047) has the molecular formula C12H10ClN3O and a molecular weight of 247.69 g/mol. Its IUPAC name is 2-(2-amino-3-pyridinyl)-1-(3-chloro-2-pyridinyl)ethanone.

Molecular Properties

Compound Name2-(2-amino-3-pyridinyl)-1-(3-chloro-2-pyridinyl)ethanone
PubChem CID103443047
Molecular FormulaC12H10ClN3O
Molecular Weight247.69 g/mol
Exact Mass247.05
IUPAC Name2-(2-amino-3-pyridinyl)-1-(3-chloro-2-pyridinyl)ethanone
SMILESNc1ncccc1CC(=O)c1ncccc1Cl
InChIInChI=1S/C12H10ClN3O/c13-9-4-2-5-15-11(9)10(17)7-8-3-1-6-16-12(8)14/h1-6H,7H2,(H2,14,16)
InChIKeyKTVLKLNGWADMFE-UHFFFAOYSA-N
XLogP2.14
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.69
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-amino-3-pyridinyl)-1-(3-amino-2-pyridinyl)ethanone
CID 116613939
1-(3-chloro-2-pyridinyl)propan-1-one
CID 67986834
2-(2-amino-3-pyridinyl)acetohydrazide
CID 130616635
3-chloropyridine-2-carbonyl chloride
CID 45081497
1-(3-chloro-2-pyridinyl)-4,4,4-trifluorobutan-1-one
CID 103443231
2-(2-amino-3-pyridinyl)acetohydrazide;hydrochloride
CID 130616634
2-(2-amino-3-pyridinyl)-N-methylacetamide;hydrochloride
CID 130695658
(E)-1-(2-amino-3-pyridinyl)pent-3-en-2-one
CID 103453454
4-amino-1-(2-amino-3-pyridinyl)-3-methylbutan-2-one
CID 116564663
3-[2-amino-2-(3-chloro-2-pyridinyl)ethyl]pyridin-2-amine
CID 103443859
2-(2-chloro-6-fluorophenyl)-1-(3-ethyl-2-pyridinyl)ethanone
CID 82730026
(2-chlorophenyl)-(3-chloro-2-pyridinyl)methanone
CID 103443193

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-3-pyridinyl)-1-(3-chloro-2-pyridinyl)ethanone?
The IUPAC name of 2-(2-amino-3-pyridinyl)-1-(3-chloro-2-pyridinyl)ethanone (CID 103443047) is 2-(2-amino-3-pyridinyl)-1-(3-chloro-2-pyridinyl)ethanone.
What is the SMILES notation for 2-(2-amino-3-pyridinyl)-1-(3-chloro-2-pyridinyl)ethanone?
The canonical SMILES for 2-(2-amino-3-pyridinyl)-1-(3-chloro-2-pyridinyl)ethanone is Nc1ncccc1CC(=O)c1ncccc1Cl.
What is the InChIKey of 2-(2-amino-3-pyridinyl)-1-(3-chloro-2-pyridinyl)ethanone?
The InChIKey is KTVLKLNGWADMFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O/c13-9-4-2-5-15-11(9)10(17)7-8-3-1-6-16-12(8)14/h1-6H,7H2,(H2,14,16).
What are the key properties of 2-(2-amino-3-pyridinyl)-1-(3-chloro-2-pyridinyl)ethanone?
2-(2-amino-3-pyridinyl)-1-(3-chloro-2-pyridinyl)ethanone has a molecular weight of 247.69 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-3-pyridinyl)-1-(3-chloro-2-pyridinyl)ethanone is sourced from PubChem (CID 103443047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).