1-(5-fluoro-2-methoxy-3-pyridinyl)but-3-en-1-amine

C10H13FN2O — CID 147248052

IUPAC1-(5-fluoro-2-methoxy-3-pyridinyl)but-3-en-1-amine
SMILESC=CCC(N)c1cc(F)cnc1OC
InChIInChI=1S/C10H13FN2O/c1-3-4-9(12)8-5-7(11)6-13-10(8)14-2/h3,5-6,9H,1,4,12H2,2H3
InChIKeyCMCTWAIQDZQBOQ-UHFFFAOYSA-N
MW196.22 g/mol
LogP1.81
Rot. Bonds4

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

1-(5-fluoro-2-methoxy-3-pyridinyl)but-3-en-1-amine (PubChem CID 147248052) has the molecular formula C10H13FN2O and a molecular weight of 196.22 g/mol. Its IUPAC name is 1-(5-fluoro-2-methoxy-3-pyridinyl)but-3-en-1-amine.

Molecular Properties

Compound Name1-(5-fluoro-2-methoxy-3-pyridinyl)but-3-en-1-amine
PubChem CID147248052
Molecular FormulaC10H13FN2O
Molecular Weight196.22 g/mol
Exact Mass196.10
IUPAC Name1-(5-fluoro-2-methoxy-3-pyridinyl)but-3-en-1-amine
SMILESC=CCC(N)c1cc(F)cnc1OC
InChIInChI=1S/C10H13FN2O/c1-3-4-9(12)8-5-7(11)6-13-10(8)14-2/h3,5-6,9H,1,4,12H2,2H3
InChIKeyCMCTWAIQDZQBOQ-UHFFFAOYSA-N
XLogP1.81
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.22
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-(2-chloro-5-fluoro-3-pyridinyl)but-3-en-1-amine
CID 130865138
1-(5-fluoro-2-methoxy-3-pyridinyl)ethanamine;dihydrochloride
CID 162422590
(4R)-4-(5-fluoro-2-methoxy-3-pyridinyl)-2-methylhept-6-ene-2-sulfinamide
CID 155613987
2-[(1S)-1-aminobut-3-enyl]-4-fluoro-6-methoxyphenol;hydrochloride
CID 171256017
(1S)-1-(2-fluoro-4-methoxyphenyl)but-3-en-1-amine
CID 55269234
(1R)-1-(2-fluoro-4-methoxyphenyl)but-3-en-1-amine;hydrochloride
CID 171200072
(1S)-1-(2,4-difluorophenyl)but-3-en-1-amine
CID 95009988
[(1R)-1-(5-fluoro-2-methoxy-3-pyridinyl)ethyl] acetate
CID 168936041
3-(1-aminobut-3-enyl)-5-methylpyridin-2-amine
CID 55291746
5-[(1R)-1-aminoprop-2-enyl]-6-methoxypyridin-3-amine
CID 55274368
(1S)-1-(6-fluoro-5-methyl-3-pyridinyl)but-3-en-1-amine
CID 130673428
2-(1-aminobut-3-enyl)-4-fluorophenol;hydrochloride
CID 162344629

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methoxy-3-pyridinyl)but-3-en-1-amine?
The IUPAC name of 1-(5-fluoro-2-methoxy-3-pyridinyl)but-3-en-1-amine (CID 147248052) is 1-(5-fluoro-2-methoxy-3-pyridinyl)but-3-en-1-amine.
What is the SMILES notation for 1-(5-fluoro-2-methoxy-3-pyridinyl)but-3-en-1-amine?
The canonical SMILES for 1-(5-fluoro-2-methoxy-3-pyridinyl)but-3-en-1-amine is C=CCC(N)c1cc(F)cnc1OC.
What is the InChIKey of 1-(5-fluoro-2-methoxy-3-pyridinyl)but-3-en-1-amine?
The InChIKey is CMCTWAIQDZQBOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O/c1-3-4-9(12)8-5-7(11)6-13-10(8)14-2/h3,5-6,9H,1,4,12H2,2H3.
What are the key properties of 1-(5-fluoro-2-methoxy-3-pyridinyl)but-3-en-1-amine?
1-(5-fluoro-2-methoxy-3-pyridinyl)but-3-en-1-amine has a molecular weight of 196.22 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-methoxy-3-pyridinyl)but-3-en-1-amine is sourced from PubChem (CID 147248052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).