1-(2-amino-3-pyridinyl)-3-(4-fluorophenyl)prop-2-yn-1-one

C14H9FN2O — CID 166107863

IUPAC1-(2-amino-3-pyridinyl)-3-(4-fluorophenyl)prop-2-yn-1-one
SMILESNc1ncccc1C(=O)C#Cc1ccc(F)cc1
InChIInChI=1S/C14H9FN2O/c15-11-6-3-10(4-7-11)5-8-13(18)12-2-1-9-17-14(12)16/h1-4,6-7,9H,(H2,16,17)
InChIKeySUVYKPQCKIVQMB-UHFFFAOYSA-N
MW240.24 g/mol
LogP2.04
Rot. Bonds1

About 1-(2-amino-3-pyridinyl)-3-(4-fluorophenyl)prop-2-yn-1-one

1-(2-amino-3-pyridinyl)-3-(4-fluorophenyl)prop-2-yn-1-one (PubChem CID 166107863) has the molecular formula C14H9FN2O and a molecular weight of 240.24 g/mol. Its IUPAC name is 1-(2-amino-3-pyridinyl)-3-(4-fluorophenyl)prop-2-yn-1-one.

Molecular Properties

Compound Name1-(2-amino-3-pyridinyl)-3-(4-fluorophenyl)prop-2-yn-1-one
PubChem CID166107863
Molecular FormulaC14H9FN2O
Molecular Weight240.24 g/mol
Exact Mass240.07
IUPAC Name1-(2-amino-3-pyridinyl)-3-(4-fluorophenyl)prop-2-yn-1-one
SMILESNc1ncccc1C(=O)C#Cc1ccc(F)cc1
InChIInChI=1S/C14H9FN2O/c15-11-6-3-10(4-7-11)5-8-13(18)12-2-1-9-17-14(12)16/h1-4,6-7,9H,(H2,16,17)
InChIKeySUVYKPQCKIVQMB-UHFFFAOYSA-N
XLogP2.04
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.24
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[2-(4-fluorophenyl)propan-2-yl]pyridine-3-carboxamide
CID 82546189
2-amino-N-[(1R)-1-(4-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 94338730
2-aminopyridine-3-carboxylate
CID 4116530
1-(2-amino-3-pyridinyl)-2-chloroethanone
CID 88729887
2-amino-N-(3,5-difluorophenyl)pyridine-3-carboxamide
CID 62154038
2-amino-N-[1-(4-fluorophenyl)propan-2-yl]pyridine-3-carboxamide
CID 63008606
1-(2-amino-3-pyridinyl)-2-hydroxy-3-methylbutan-1-one
CID 103455369
2-amino-N-[(2,5-difluorophenyl)methyl]pyridine-3-carboxamide
CID 63791914
3-amino-1-(2-amino-3-pyridinyl)butan-1-one
CID 116556036
2-amino-N-(2,3,5-trifluorophenyl)pyridine-3-carboxamide
CID 62813132
2-amino-N'-methylpyridine-3-carbohydrazide
CID 86158893
2-amino-N,N-bis(cyanomethyl)pyridine-3-carboxamide
CID 62152670

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-3-pyridinyl)-3-(4-fluorophenyl)prop-2-yn-1-one?
The IUPAC name of 1-(2-amino-3-pyridinyl)-3-(4-fluorophenyl)prop-2-yn-1-one (CID 166107863) is 1-(2-amino-3-pyridinyl)-3-(4-fluorophenyl)prop-2-yn-1-one.
What is the SMILES notation for 1-(2-amino-3-pyridinyl)-3-(4-fluorophenyl)prop-2-yn-1-one?
The canonical SMILES for 1-(2-amino-3-pyridinyl)-3-(4-fluorophenyl)prop-2-yn-1-one is Nc1ncccc1C(=O)C#Cc1ccc(F)cc1.
What is the InChIKey of 1-(2-amino-3-pyridinyl)-3-(4-fluorophenyl)prop-2-yn-1-one?
The InChIKey is SUVYKPQCKIVQMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FN2O/c15-11-6-3-10(4-7-11)5-8-13(18)12-2-1-9-17-14(12)16/h1-4,6-7,9H,(H2,16,17).
What are the key properties of 1-(2-amino-3-pyridinyl)-3-(4-fluorophenyl)prop-2-yn-1-one?
1-(2-amino-3-pyridinyl)-3-(4-fluorophenyl)prop-2-yn-1-one has a molecular weight of 240.24 g/mol, XLogP of 2.04, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-3-pyridinyl)-3-(4-fluorophenyl)prop-2-yn-1-one is sourced from PubChem (CID 166107863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).