5-(5-fluoro-3-pyridinyl)pent-4-yn-1-amine

C10H11FN2 — CID 106220016

IUPAC5-(5-fluoro-3-pyridinyl)pent-4-yn-1-amine
SMILESNCCCC#Cc1cncc(F)c1
InChIInChI=1S/C10H11FN2/c11-10-6-9(7-13-8-10)4-2-1-3-5-12/h6-8H,1,3,5,12H2
InChIKeyLGJJNTAYQFXPIE-UHFFFAOYSA-N
MW178.21 g/mol
LogP1.31
Rot. Bonds2

About 5-(5-fluoro-3-pyridinyl)pent-4-yn-1-amine

5-(5-fluoro-3-pyridinyl)pent-4-yn-1-amine (PubChem CID 106220016) has the molecular formula C10H11FN2 and a molecular weight of 178.21 g/mol. Its IUPAC name is 5-(5-fluoro-3-pyridinyl)pent-4-yn-1-amine.

Molecular Properties

Compound Name5-(5-fluoro-3-pyridinyl)pent-4-yn-1-amine
PubChem CID106220016
Molecular FormulaC10H11FN2
Molecular Weight178.21 g/mol
Exact Mass178.09
IUPAC Name5-(5-fluoro-3-pyridinyl)pent-4-yn-1-amine
SMILESNCCCC#Cc1cncc(F)c1
InChIInChI=1S/C10H11FN2/c11-10-6-9(7-13-8-10)4-2-1-3-5-12/h6-8H,1,3,5,12H2
InChIKeyLGJJNTAYQFXPIE-UHFFFAOYSA-N
XLogP1.31
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.21
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(5-fluoro-3-pyridinyl)but-3-yn-1-amine
CID 116641360
4-(5-fluoro-3-pyridinyl)but-3-ynenitrile
CID 170474269
6-(5-ethoxy-3-pyridinyl)hex-5-yn-1-amine
CID 106208818
5-(2,6-difluorophenyl)pent-4-yn-1-amine
CID 106220097
5-(4-fluoronaphthalen-1-yl)pent-4-yn-1-amine
CID 106220298
4-(4-fluorophenyl)but-3-yn-1-amine
CID 116641342
3-bromo-5-(4-chlorobut-1-ynyl)pyridine
CID 170468722
4-(5-but-1-ynyl-3-pyridinyl)but-3-yn-1-ol
CID 144746531
5-(1-phenylpyrazol-4-yl)pent-4-yn-1-amine
CID 114159914
3-(4-chlorobut-1-ynyl)-5-(2-fluoroethoxy)pyridine
CID 80694312
3-[[(2S)-azetidin-2-yl]methoxy]-5-(6-fluorohex-1-ynyl)pyridine
CID 59330540
(5-fluoro-3-pyridinyl)methanamine;dihydrochloride
CID 119081474

Frequently Asked Questions

What is the IUPAC name of 5-(5-fluoro-3-pyridinyl)pent-4-yn-1-amine?
The IUPAC name of 5-(5-fluoro-3-pyridinyl)pent-4-yn-1-amine (CID 106220016) is 5-(5-fluoro-3-pyridinyl)pent-4-yn-1-amine.
What is the SMILES notation for 5-(5-fluoro-3-pyridinyl)pent-4-yn-1-amine?
The canonical SMILES for 5-(5-fluoro-3-pyridinyl)pent-4-yn-1-amine is NCCCC#Cc1cncc(F)c1.
What is the InChIKey of 5-(5-fluoro-3-pyridinyl)pent-4-yn-1-amine?
The InChIKey is LGJJNTAYQFXPIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2/c11-10-6-9(7-13-8-10)4-2-1-3-5-12/h6-8H,1,3,5,12H2.
What are the key properties of 5-(5-fluoro-3-pyridinyl)pent-4-yn-1-amine?
5-(5-fluoro-3-pyridinyl)pent-4-yn-1-amine has a molecular weight of 178.21 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-fluoro-3-pyridinyl)pent-4-yn-1-amine is sourced from PubChem (CID 106220016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).