1-(3-fluoro-4-pyridinyl)prop-2-en-1-amine

C8H9FN2 — CID 55295239

IUPAC1-(3-fluoro-4-pyridinyl)prop-2-en-1-amine
SMILESC=CC(N)c1ccncc1F
InChIInChI=1S/C8H9FN2/c1-2-8(10)6-3-4-11-5-7(6)9/h2-5,8H,1,10H2
InChIKeyRIMLHTJLBWINSI-UHFFFAOYSA-N
MW152.17 g/mol
LogP1.41
Rot. Bonds2

About 1-(3-fluoro-4-pyridinyl)prop-2-en-1-amine

1-(3-fluoro-4-pyridinyl)prop-2-en-1-amine (PubChem CID 55295239) has the molecular formula C8H9FN2 and a molecular weight of 152.17 g/mol. Its IUPAC name is 1-(3-fluoro-4-pyridinyl)prop-2-en-1-amine.

Molecular Properties

Compound Name1-(3-fluoro-4-pyridinyl)prop-2-en-1-amine
PubChem CID55295239
Molecular FormulaC8H9FN2
Molecular Weight152.17 g/mol
Exact Mass152.07
IUPAC Name1-(3-fluoro-4-pyridinyl)prop-2-en-1-amine
SMILESC=CC(N)c1ccncc1F
InChIInChI=1S/C8H9FN2/c1-2-8(10)6-3-4-11-5-7(6)9/h2-5,8H,1,10H2
InChIKeyRIMLHTJLBWINSI-UHFFFAOYSA-N
XLogP1.41
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.17
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3-fluoro-4-pyridinyl)-quinolin-4-ylmethanamine
CID 105182016
1-(2,4-difluorophenyl)prop-2-en-1-amine
CID 55283550
(1S)-2-cyclopropyl-1-(3-fluoro-4-pyridinyl)ethanamine
CID 130679719
1-pyridin-4-ylprop-2-en-1-amine
CID 55293732
1-(3-fluoro-4-pyridinyl)ethanethiol
CID 89277032
(3R)-3-amino-3-(3-fluoro-4-pyridinyl)propanenitrile
CID 55276827
2-(3-fluoro-4-pyridinyl)propan-1-amine
CID 84649949
1-(3-fluoro-4-pyridinyl)-2,2-dimethylbutan-1-amine
CID 105038344
(3-fluoro-4-pyridinyl)-(1-methylcyclopentyl)methanamine
CID 105038093
(1R)-1-(2,4,5-trifluorophenyl)prop-2-en-1-amine
CID 55277971
[2,2-difluoro-1-(3-fluoro-4-pyridinyl)ethyl]hydrazine
CID 105265116
2-(3-fluoro-4-pyridinyl)propan-1-amine;hydrochloride
CID 84662951

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-pyridinyl)prop-2-en-1-amine?
The IUPAC name of 1-(3-fluoro-4-pyridinyl)prop-2-en-1-amine (CID 55295239) is 1-(3-fluoro-4-pyridinyl)prop-2-en-1-amine.
What is the SMILES notation for 1-(3-fluoro-4-pyridinyl)prop-2-en-1-amine?
The canonical SMILES for 1-(3-fluoro-4-pyridinyl)prop-2-en-1-amine is C=CC(N)c1ccncc1F.
What is the InChIKey of 1-(3-fluoro-4-pyridinyl)prop-2-en-1-amine?
The InChIKey is RIMLHTJLBWINSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN2/c1-2-8(10)6-3-4-11-5-7(6)9/h2-5,8H,1,10H2.
What are the key properties of 1-(3-fluoro-4-pyridinyl)prop-2-en-1-amine?
1-(3-fluoro-4-pyridinyl)prop-2-en-1-amine has a molecular weight of 152.17 g/mol, XLogP of 1.41, 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)prop-2-en-1-amine is sourced from PubChem (CID 55295239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).