1-(3-fluoro-4-pyridinyl)hex-1-yn-3-amine

C11H13FN2 — CID 106226030

IUPAC1-(3-fluoro-4-pyridinyl)hex-1-yn-3-amine
SMILESCCCC(N)C#Cc1ccncc1F
InChIInChI=1S/C11H13FN2/c1-2-3-10(13)5-4-9-6-7-14-8-11(9)12/h6-8,10H,2-3,13H2,1H3
InChIKeyWLWMWJMKQAJILU-UHFFFAOYSA-N
MW192.24 g/mol
LogP1.70
Rot. Bonds2

About 1-(3-fluoro-4-pyridinyl)hex-1-yn-3-amine

1-(3-fluoro-4-pyridinyl)hex-1-yn-3-amine (PubChem CID 106226030) has the molecular formula C11H13FN2 and a molecular weight of 192.24 g/mol. Its IUPAC name is 1-(3-fluoro-4-pyridinyl)hex-1-yn-3-amine.

Molecular Properties

Compound Name1-(3-fluoro-4-pyridinyl)hex-1-yn-3-amine
PubChem CID106226030
Molecular FormulaC11H13FN2
Molecular Weight192.24 g/mol
Exact Mass192.11
IUPAC Name1-(3-fluoro-4-pyridinyl)hex-1-yn-3-amine
SMILESCCCC(N)C#Cc1ccncc1F
InChIInChI=1S/C11H13FN2/c1-2-3-10(13)5-4-9-6-7-14-8-11(9)12/h6-8,10H,2-3,13H2,1H3
InChIKeyWLWMWJMKQAJILU-UHFFFAOYSA-N
XLogP1.70
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-fluoro-4-[2-(3-fluoro-4-pyridinyl)ethynyl]pyridine
CID 177485987
1-(4-methyl-3-pyridinyl)pent-1-yn-3-amine
CID 106225856
1-isoquinolin-4-ylhex-1-yn-3-amine
CID 106225772
1-(2,4,6-trifluorophenyl)hex-1-yn-3-amine
CID 106226274
1-(4-ethylphenyl)hex-1-yn-3-amine
CID 106225693
1-(2-methylthiophen-3-yl)hex-1-yn-3-amine
CID 106226124
1-(4-methylnaphthalen-1-yl)hex-1-yn-3-amine
CID 114160791
4-[(1R)-1-aminobutyl]pyridine-3-carbonitrile
CID 55262869
1-(2,5-difluorophenyl)pent-1-yn-3-amine
CID 106225731
(2S)-5-(4-chloro-5-fluoro-3-pyridinyl)pent-4-yn-2-amine
CID 178023999
1-[2-(2-methoxyethoxy)phenyl]hex-1-yn-3-amine
CID 106226023
1-(1,2-dihydroacenaphthylen-5-yl)hex-1-yn-3-amine
CID 106226453

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-pyridinyl)hex-1-yn-3-amine?
The IUPAC name of 1-(3-fluoro-4-pyridinyl)hex-1-yn-3-amine (CID 106226030) is 1-(3-fluoro-4-pyridinyl)hex-1-yn-3-amine.
What is the SMILES notation for 1-(3-fluoro-4-pyridinyl)hex-1-yn-3-amine?
The canonical SMILES for 1-(3-fluoro-4-pyridinyl)hex-1-yn-3-amine is CCCC(N)C#Cc1ccncc1F.
What is the InChIKey of 1-(3-fluoro-4-pyridinyl)hex-1-yn-3-amine?
The InChIKey is WLWMWJMKQAJILU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2/c1-2-3-10(13)5-4-9-6-7-14-8-11(9)12/h6-8,10H,2-3,13H2,1H3.
What are the key properties of 1-(3-fluoro-4-pyridinyl)hex-1-yn-3-amine?
1-(3-fluoro-4-pyridinyl)hex-1-yn-3-amine has a molecular weight of 192.24 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-pyridinyl)hex-1-yn-3-amine is sourced from PubChem (CID 106226030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).