2-(2-amino-4-pyridinyl)-1-(5-fluoro-2-pyridinyl)ethanone

C12H10FN3O — CID 79722239

IUPAC2-(2-amino-4-pyridinyl)-1-(5-fluoro-2-pyridinyl)ethanone
SMILESNc1cc(CC(=O)c2ccc(F)cn2)ccn1
InChIInChI=1S/C12H10FN3O/c13-9-1-2-10(16-7-9)11(17)5-8-3-4-15-12(14)6-8/h1-4,6-7H,5H2,(H2,14,15)
InChIKeyDRBUJXCXLPETRU-UHFFFAOYSA-N
MW231.23 g/mol
LogP1.62
Rot. Bonds3

About 2-(2-amino-4-pyridinyl)-1-(5-fluoro-2-pyridinyl)ethanone

2-(2-amino-4-pyridinyl)-1-(5-fluoro-2-pyridinyl)ethanone (PubChem CID 79722239) has the molecular formula C12H10FN3O and a molecular weight of 231.23 g/mol. Its IUPAC name is 2-(2-amino-4-pyridinyl)-1-(5-fluoro-2-pyridinyl)ethanone.

Molecular Properties

Compound Name2-(2-amino-4-pyridinyl)-1-(5-fluoro-2-pyridinyl)ethanone
PubChem CID79722239
Molecular FormulaC12H10FN3O
Molecular Weight231.23 g/mol
Exact Mass231.08
IUPAC Name2-(2-amino-4-pyridinyl)-1-(5-fluoro-2-pyridinyl)ethanone
SMILESNc1cc(CC(=O)c2ccc(F)cn2)ccn1
InChIInChI=1S/C12H10FN3O/c13-9-1-2-10(16-7-9)11(17)5-8-3-4-15-12(14)6-8/h1-4,6-7H,5H2,(H2,14,15)
InChIKeyDRBUJXCXLPETRU-UHFFFAOYSA-N
XLogP1.62
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.23
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-acetyl-4-fluorophenyl)-1-(5-fluoro-2-pyridinyl)ethanone;1-(5-amino-2-fluorophenyl)ethanone
CID 158154885
2-(2-amino-4-pyridinyl)-1-(2,3,4-trifluorophenyl)ethanone
CID 114017886
2-(3-bromo-4-methoxyphenyl)-1-(5-fluoro-2-pyridinyl)ethanone
CID 79723493
2-(2,6-difluorophenyl)-1-(5-fluoro-2-pyridinyl)ethanone
CID 114931398
1-(5-fluoro-2-pyridinyl)-2-(2,4,6-trimethylphenyl)ethanone
CID 79722512
1-(2-amino-4-pyridinyl)-3-methylbut-3-en-2-one
CID 103446347
2-(2-amino-4-pyridinyl)-1-(3,4-dichlorophenyl)ethanone
CID 81491660
2-[3-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluorophenyl]-1-(5-fluoro-2-pyridinyl)ethanone
CID 158152074
2-(2-amino-4-pyridinyl)-1-(2-ethoxyphenyl)ethanone
CID 115533428
1-(3-amino-5-bromophenyl)-2-(2-amino-4-pyridinyl)ethanone
CID 116597144
1-(5-fluoro-2-pyridinyl)but-3-yn-1-one
CID 79722226
5-(18F)fluoropyridine-2-carboxamide
CID 11607925

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-pyridinyl)-1-(5-fluoro-2-pyridinyl)ethanone?
The IUPAC name of 2-(2-amino-4-pyridinyl)-1-(5-fluoro-2-pyridinyl)ethanone (CID 79722239) is 2-(2-amino-4-pyridinyl)-1-(5-fluoro-2-pyridinyl)ethanone.
What is the SMILES notation for 2-(2-amino-4-pyridinyl)-1-(5-fluoro-2-pyridinyl)ethanone?
The canonical SMILES for 2-(2-amino-4-pyridinyl)-1-(5-fluoro-2-pyridinyl)ethanone is Nc1cc(CC(=O)c2ccc(F)cn2)ccn1.
What is the InChIKey of 2-(2-amino-4-pyridinyl)-1-(5-fluoro-2-pyridinyl)ethanone?
The InChIKey is DRBUJXCXLPETRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN3O/c13-9-1-2-10(16-7-9)11(17)5-8-3-4-15-12(14)6-8/h1-4,6-7H,5H2,(H2,14,15).
What are the key properties of 2-(2-amino-4-pyridinyl)-1-(5-fluoro-2-pyridinyl)ethanone?
2-(2-amino-4-pyridinyl)-1-(5-fluoro-2-pyridinyl)ethanone has a molecular weight of 231.23 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-pyridinyl)-1-(5-fluoro-2-pyridinyl)ethanone is sourced from PubChem (CID 79722239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).