3-(4-fluoro-2H-pyridin-1-yl)propan-1-amine

C8H13FN2 — CID 176888984

IUPAC3-(4-fluoro-2H-pyridin-1-yl)propan-1-amine
SMILESNCCCN1C=CC(F)=CC1
InChIInChI=1S/C8H13FN2/c9-8-2-6-11(7-3-8)5-1-4-10/h2-3,6H,1,4-5,7,10H2
InChIKeyXIWFFEXOWARUEL-UHFFFAOYSA-N
MW156.20 g/mol
LogP1.02
Rot. Bonds3

About 3-(4-fluoro-2H-pyridin-1-yl)propan-1-amine

3-(4-fluoro-2H-pyridin-1-yl)propan-1-amine (PubChem CID 176888984) has the molecular formula C8H13FN2 and a molecular weight of 156.20 g/mol. Its IUPAC name is 3-(4-fluoro-2H-pyridin-1-yl)propan-1-amine.

Molecular Properties

Compound Name3-(4-fluoro-2H-pyridin-1-yl)propan-1-amine
PubChem CID176888984
Molecular FormulaC8H13FN2
Molecular Weight156.20 g/mol
Exact Mass156.11
IUPAC Name3-(4-fluoro-2H-pyridin-1-yl)propan-1-amine
SMILESNCCCN1C=CC(F)=CC1
InChIInChI=1S/C8H13FN2/c9-8-2-6-11(7-3-8)5-1-4-10/h2-3,6H,1,4-5,7,10H2
InChIKeyXIWFFEXOWARUEL-UHFFFAOYSA-N
XLogP1.02
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.20
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-2H-pyridin-1-yl)propan-1-amine?
The IUPAC name of 3-(4-fluoro-2H-pyridin-1-yl)propan-1-amine (CID 176888984) is 3-(4-fluoro-2H-pyridin-1-yl)propan-1-amine.
What is the SMILES notation for 3-(4-fluoro-2H-pyridin-1-yl)propan-1-amine?
The canonical SMILES for 3-(4-fluoro-2H-pyridin-1-yl)propan-1-amine is NCCCN1C=CC(F)=CC1.
What is the InChIKey of 3-(4-fluoro-2H-pyridin-1-yl)propan-1-amine?
The InChIKey is XIWFFEXOWARUEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FN2/c9-8-2-6-11(7-3-8)5-1-4-10/h2-3,6H,1,4-5,7,10H2.
What are the key properties of 3-(4-fluoro-2H-pyridin-1-yl)propan-1-amine?
3-(4-fluoro-2H-pyridin-1-yl)propan-1-amine has a molecular weight of 156.20 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-2H-pyridin-1-yl)propan-1-amine is sourced from PubChem (CID 176888984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).