2-(4-amino-3-pyridinyl)-1-(5-chloro-2-fluorophenyl)ethanone

C13H10ClFN2O — CID 114885260

IUPAC2-(4-amino-3-pyridinyl)-1-(5-chloro-2-fluorophenyl)ethanone
SMILESNc1ccncc1CC(=O)c1cc(Cl)ccc1F
InChIInChI=1S/C13H10ClFN2O/c14-9-1-2-11(15)10(6-9)13(18)5-8-7-17-4-3-12(8)16/h1-4,6-7H,5H2,(H2,16,17)
InChIKeyCRWRLIRGDLCBNH-UHFFFAOYSA-N
MW264.69 g/mol
LogP2.88
Rot. Bonds3

About 2-(4-amino-3-pyridinyl)-1-(5-chloro-2-fluorophenyl)ethanone

2-(4-amino-3-pyridinyl)-1-(5-chloro-2-fluorophenyl)ethanone (PubChem CID 114885260) has the molecular formula C13H10ClFN2O and a molecular weight of 264.69 g/mol. Its IUPAC name is 2-(4-amino-3-pyridinyl)-1-(5-chloro-2-fluorophenyl)ethanone.

Molecular Properties

Compound Name2-(4-amino-3-pyridinyl)-1-(5-chloro-2-fluorophenyl)ethanone
PubChem CID114885260
Molecular FormulaC13H10ClFN2O
Molecular Weight264.69 g/mol
Exact Mass264.05
IUPAC Name2-(4-amino-3-pyridinyl)-1-(5-chloro-2-fluorophenyl)ethanone
SMILESNc1ccncc1CC(=O)c1cc(Cl)ccc1F
InChIInChI=1S/C13H10ClFN2O/c14-9-1-2-11(15)10(6-9)13(18)5-8-7-17-4-3-12(8)16/h1-4,6-7H,5H2,(H2,16,17)
InChIKeyCRWRLIRGDLCBNH-UHFFFAOYSA-N
XLogP2.88
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.69
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromo-2-fluorophenyl)-2-(3-chloro-4-pyridinyl)ethanone
CID 112655296
1-[2-(2-aminoethyl)phenyl]-2-(4-amino-3-pyridinyl)ethanone
CID 116577417
1-(4-chloro-2,5-difluorophenyl)-2-(3-chloro-4-pyridinyl)ethanone
CID 112655306
2-(4-amino-3-pyridinyl)-1-(2-methylfuran-3-yl)ethanone
CID 104789293
2-(3-chloro-4-pyridinyl)-1-(2,3,4-trifluorophenyl)ethanone
CID 112655384
1-(4-amino-3-pyridinyl)-3-methylbut-3-en-2-one
CID 103446391
1-(5-chloro-2-fluorophenyl)-2-(2-chloro-4-methylphenyl)ethanone
CID 106865288
2-(2,4-dichlorophenyl)-1-(2,5-difluorophenyl)ethanone
CID 62802262
2-(2,5-dichlorophenyl)-1-(2,5-difluorophenyl)ethanone
CID 65321264
1-(4-amino-3-pyridinyl)-3-(4-fluorophenyl)-3-methylbutan-2-one
CID 64759762
2-(4-chloro-2-fluorophenyl)-1-pyridin-3-ylethanone
CID 114853626
2-(2,3-dichlorophenyl)-1-(3-fluoro-4-pyridinyl)ethanone
CID 107307992

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3-pyridinyl)-1-(5-chloro-2-fluorophenyl)ethanone?
The IUPAC name of 2-(4-amino-3-pyridinyl)-1-(5-chloro-2-fluorophenyl)ethanone (CID 114885260) is 2-(4-amino-3-pyridinyl)-1-(5-chloro-2-fluorophenyl)ethanone.
What is the SMILES notation for 2-(4-amino-3-pyridinyl)-1-(5-chloro-2-fluorophenyl)ethanone?
The canonical SMILES for 2-(4-amino-3-pyridinyl)-1-(5-chloro-2-fluorophenyl)ethanone is Nc1ccncc1CC(=O)c1cc(Cl)ccc1F.
What is the InChIKey of 2-(4-amino-3-pyridinyl)-1-(5-chloro-2-fluorophenyl)ethanone?
The InChIKey is CRWRLIRGDLCBNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClFN2O/c14-9-1-2-11(15)10(6-9)13(18)5-8-7-17-4-3-12(8)16/h1-4,6-7H,5H2,(H2,16,17).
What are the key properties of 2-(4-amino-3-pyridinyl)-1-(5-chloro-2-fluorophenyl)ethanone?
2-(4-amino-3-pyridinyl)-1-(5-chloro-2-fluorophenyl)ethanone has a molecular weight of 264.69 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3-pyridinyl)-1-(5-chloro-2-fluorophenyl)ethanone is sourced from PubChem (CID 114885260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).