3-(5-fluoro-2-pyridinyl)prop-2-yn-1-amine

C8H7FN2 — CID 122241877

IUPAC3-(5-fluoro-2-pyridinyl)prop-2-yn-1-amine
SMILESNCC#Cc1ccc(F)cn1
InChIInChI=1S/C8H7FN2/c9-7-3-4-8(11-6-7)2-1-5-10/h3-4,6H,5,10H2
InChIKeyLBHRMJRPMUBRIV-UHFFFAOYSA-N
MW150.16 g/mol
LogP0.53
Rot. Bonds

About 3-(5-fluoro-2-pyridinyl)prop-2-yn-1-amine

3-(5-fluoro-2-pyridinyl)prop-2-yn-1-amine (PubChem CID 122241877) has the molecular formula C8H7FN2 and a molecular weight of 150.16 g/mol. Its IUPAC name is 3-(5-fluoro-2-pyridinyl)prop-2-yn-1-amine.

Molecular Properties

Compound Name3-(5-fluoro-2-pyridinyl)prop-2-yn-1-amine
PubChem CID122241877
Molecular FormulaC8H7FN2
Molecular Weight150.16 g/mol
Exact Mass150.06
IUPAC Name3-(5-fluoro-2-pyridinyl)prop-2-yn-1-amine
SMILESNCC#Cc1ccc(F)cn1
InChIInChI=1S/C8H7FN2/c9-7-3-4-8(11-6-7)2-1-5-10/h3-4,6H,5,10H2
InChIKeyLBHRMJRPMUBRIV-UHFFFAOYSA-N
XLogP0.53
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.16
LogP ≤ 50.53
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

2-but-3-en-1-ynyl-5-fluoropyridine
CID 135024941
4-(5-fluoro-2-pyridinyl)but-3-yn-2-ol
CID 122242539
2-(3-aminoprop-1-ynyl)-4-fluoro-N-(5-fluoro-2-pyridinyl)benzamide
CID 65480491
2-(3-aminoprop-1-ynyl)-N-(5-fluoro-2-pyridinyl)benzenesulfonamide
CID 65481870
4-[2-(5-fluoro-2-pyridinyl)ethynyl]benzoic acid
CID 162688776
4-(3-aminoprop-1-ynyl)-3-fluoro-N-(5-fluoro-2-pyridinyl)benzamide
CID 65480690
5-(3-aminoprop-1-ynyl)-N-(5-fluoro-2-pyridinyl)thiophene-3-carboxamide
CID 79684369
2-[4-(5-fluoro-2-pyridinyl)but-3-ynyl]-1,3-benzoxazole
CID 11687602
3-(6-cyclopropylpyridazin-3-yl)prop-2-yn-1-amine
CID 122241869
4-(3-aminoprop-1-ynyl)-3-chloro-N-(5-fluoro-2-pyridinyl)benzamide
CID 81294398
3-(3-aminoprop-1-ynyl)-N-(5-fluoro-2-pyridinyl)-4-methylbenzamide
CID 81458680
N'-(5-fluoro-2-pyridinyl)-N'-methylethane-1,2-diamine
CID 62593517

Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-2-pyridinyl)prop-2-yn-1-amine?
The IUPAC name of 3-(5-fluoro-2-pyridinyl)prop-2-yn-1-amine (CID 122241877) is 3-(5-fluoro-2-pyridinyl)prop-2-yn-1-amine.
What is the SMILES notation for 3-(5-fluoro-2-pyridinyl)prop-2-yn-1-amine?
The canonical SMILES for 3-(5-fluoro-2-pyridinyl)prop-2-yn-1-amine is NCC#Cc1ccc(F)cn1.
What is the InChIKey of 3-(5-fluoro-2-pyridinyl)prop-2-yn-1-amine?
The InChIKey is LBHRMJRPMUBRIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FN2/c9-7-3-4-8(11-6-7)2-1-5-10/h3-4,6H,5,10H2.
What are the key properties of 3-(5-fluoro-2-pyridinyl)prop-2-yn-1-amine?
3-(5-fluoro-2-pyridinyl)prop-2-yn-1-amine has a molecular weight of 150.16 g/mol, XLogP of 0.53, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-2-pyridinyl)prop-2-yn-1-amine is sourced from PubChem (CID 122241877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).