1-(5-fluoro-2-pyridinyl)pent-4-yn-1-amine

C10H11FN2 — CID 79721767

IUPAC1-(5-fluoro-2-pyridinyl)pent-4-yn-1-amine
SMILESC#CCCC(N)c1ccc(F)cn1
InChIInChI=1S/C10H11FN2/c1-2-3-4-9(12)10-6-5-8(11)7-13-10/h1,5-7,9H,3-4,12H2
InChIKeyWUIOWMPUNGEWKX-UHFFFAOYSA-N
MW178.21 g/mol
LogP1.63
Rot. Bonds3

About 1-(5-fluoro-2-pyridinyl)pent-4-yn-1-amine

1-(5-fluoro-2-pyridinyl)pent-4-yn-1-amine (PubChem CID 79721767) has the molecular formula C10H11FN2 and a molecular weight of 178.21 g/mol. Its IUPAC name is 1-(5-fluoro-2-pyridinyl)pent-4-yn-1-amine.

Molecular Properties

Compound Name1-(5-fluoro-2-pyridinyl)pent-4-yn-1-amine
PubChem CID79721767
Molecular FormulaC10H11FN2
Molecular Weight178.21 g/mol
Exact Mass178.09
IUPAC Name1-(5-fluoro-2-pyridinyl)pent-4-yn-1-amine
SMILESC#CCCC(N)c1ccc(F)cn1
InChIInChI=1S/C10H11FN2/c1-2-3-4-9(12)10-6-5-8(11)7-13-10/h1,5-7,9H,3-4,12H2
InChIKeyWUIOWMPUNGEWKX-UHFFFAOYSA-N
XLogP1.63
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.21
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-pyridinyl)pent-4-yn-1-amine?
The IUPAC name of 1-(5-fluoro-2-pyridinyl)pent-4-yn-1-amine (CID 79721767) is 1-(5-fluoro-2-pyridinyl)pent-4-yn-1-amine.
What is the SMILES notation for 1-(5-fluoro-2-pyridinyl)pent-4-yn-1-amine?
The canonical SMILES for 1-(5-fluoro-2-pyridinyl)pent-4-yn-1-amine is C#CCCC(N)c1ccc(F)cn1.
What is the InChIKey of 1-(5-fluoro-2-pyridinyl)pent-4-yn-1-amine?
The InChIKey is WUIOWMPUNGEWKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2/c1-2-3-4-9(12)10-6-5-8(11)7-13-10/h1,5-7,9H,3-4,12H2.
What are the key properties of 1-(5-fluoro-2-pyridinyl)pent-4-yn-1-amine?
1-(5-fluoro-2-pyridinyl)pent-4-yn-1-amine has a molecular weight of 178.21 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-pyridinyl)pent-4-yn-1-amine is sourced from PubChem (CID 79721767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).