3-(5-fluoro-2-pyridinyl)pent-1-en-3-amine

C10H13FN2 — CID 130655519

IUPAC3-(5-fluoro-2-pyridinyl)pent-1-en-3-amine
SMILESC=CC(N)(CC)c1ccc(F)cn1
InChIInChI=1S/C10H13FN2/c1-3-10(12,4-2)9-6-5-8(11)7-13-9/h3,5-7H,1,4,12H2,2H3
InChIKeyLPGLDWICGMNXDT-UHFFFAOYSA-N
MW180.23 g/mol
LogP1.97
Rot. Bonds3

About 3-(5-fluoro-2-pyridinyl)pent-1-en-3-amine

3-(5-fluoro-2-pyridinyl)pent-1-en-3-amine (PubChem CID 130655519) has the molecular formula C10H13FN2 and a molecular weight of 180.23 g/mol. Its IUPAC name is 3-(5-fluoro-2-pyridinyl)pent-1-en-3-amine.

Molecular Properties

Compound Name3-(5-fluoro-2-pyridinyl)pent-1-en-3-amine
PubChem CID130655519
Molecular FormulaC10H13FN2
Molecular Weight180.23 g/mol
Exact Mass180.11
IUPAC Name3-(5-fluoro-2-pyridinyl)pent-1-en-3-amine
SMILESC=CC(N)(CC)c1ccc(F)cn1
InChIInChI=1S/C10H13FN2/c1-3-10(12,4-2)9-6-5-8(11)7-13-9/h3,5-7H,1,4,12H2,2H3
InChIKeyLPGLDWICGMNXDT-UHFFFAOYSA-N
XLogP1.97
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.23
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-2-pyridinyl)pent-1-en-3-amine?
The IUPAC name of 3-(5-fluoro-2-pyridinyl)pent-1-en-3-amine (CID 130655519) is 3-(5-fluoro-2-pyridinyl)pent-1-en-3-amine.
What is the SMILES notation for 3-(5-fluoro-2-pyridinyl)pent-1-en-3-amine?
The canonical SMILES for 3-(5-fluoro-2-pyridinyl)pent-1-en-3-amine is C=CC(N)(CC)c1ccc(F)cn1.
What is the InChIKey of 3-(5-fluoro-2-pyridinyl)pent-1-en-3-amine?
The InChIKey is LPGLDWICGMNXDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2/c1-3-10(12,4-2)9-6-5-8(11)7-13-9/h3,5-7H,1,4,12H2,2H3.
What are the key properties of 3-(5-fluoro-2-pyridinyl)pent-1-en-3-amine?
3-(5-fluoro-2-pyridinyl)pent-1-en-3-amine has a molecular weight of 180.23 g/mol, XLogP of 1.97, 3 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)pent-1-en-3-amine is sourced from PubChem (CID 130655519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).