4-(2-fluoro-3-pyridinyl)-N-methylbut-3-en-1-amine

C10H13FN2 — CID 170495257

IUPAC4-(2-fluoro-3-pyridinyl)-N-methylbut-3-en-1-amine
SMILESCNCCC=Cc1cccnc1F
InChIInChI=1S/C10H13FN2/c1-12-7-3-2-5-9-6-4-8-13-10(9)11/h2,4-6,8,12H,3,7H2,1H3
InChIKeyTVHJYOFZBPQAHO-UHFFFAOYSA-N
MW180.23 g/mol
LogP1.84
Rot. Bonds4

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

4-(2-fluoro-3-pyridinyl)-N-methylbut-3-en-1-amine (PubChem CID 170495257) has the molecular formula C10H13FN2 and a molecular weight of 180.23 g/mol. Its IUPAC name is 4-(2-fluoro-3-pyridinyl)-N-methylbut-3-en-1-amine.

Molecular Properties

Compound Name4-(2-fluoro-3-pyridinyl)-N-methylbut-3-en-1-amine
PubChem CID170495257
Molecular FormulaC10H13FN2
Molecular Weight180.23 g/mol
Exact Mass180.11
IUPAC Name4-(2-fluoro-3-pyridinyl)-N-methylbut-3-en-1-amine
SMILESCNCCC=Cc1cccnc1F
InChIInChI=1S/C10H13FN2/c1-12-7-3-2-5-9-6-4-8-13-10(9)11/h2,4-6,8,12H,3,7H2,1H3
InChIKeyTVHJYOFZBPQAHO-UHFFFAOYSA-N
XLogP1.84
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.23
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-3-[4-(methylamino)but-1-enyl]phenol
CID 170495366
(E)-4-(2,3-difluoro-4-methylphenyl)-N-methylbut-3-en-1-amine
CID 107514676
(E)-4-(2-fluoro-3-methoxyphenyl)-N-methylbut-3-en-1-amine
CID 82811076
4-(2,5-difluorophenyl)-N-methylbut-3-en-1-amine
CID 79590280
4-(3-fluoro-2-nitrophenyl)-N-methylbut-3-en-1-amine
CID 170496160
4-(2-fluoro-3-nitrophenyl)-N-methylbut-3-en-1-amine
CID 170496164
ethyl 4-(2-fluoro-3-pyridinyl)but-3-enoate
CID 170795596
N-methyl-4-[2-methyl-3-(trifluoromethyl)phenyl]but-3-en-1-amine
CID 170496226
4-(4-fluoro-2-methylphenyl)-N-methylbut-3-en-1-amine
CID 79591290
N-[[2-[4-(methylamino)but-1-enyl]phenyl]methylidene]hydroxylamine
CID 170495845
4-(5-fluoro-2-methoxy-3-pyridinyl)-N-methylbut-3-en-1-amine
CID 170495839
N-methyl-4-(6-methyl-3-pyridinyl)but-3-en-1-amine
CID 54149645

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-3-pyridinyl)-N-methylbut-3-en-1-amine?
The IUPAC name of 4-(2-fluoro-3-pyridinyl)-N-methylbut-3-en-1-amine (CID 170495257) is 4-(2-fluoro-3-pyridinyl)-N-methylbut-3-en-1-amine.
What is the SMILES notation for 4-(2-fluoro-3-pyridinyl)-N-methylbut-3-en-1-amine?
The canonical SMILES for 4-(2-fluoro-3-pyridinyl)-N-methylbut-3-en-1-amine is CNCCC=Cc1cccnc1F.
What is the InChIKey of 4-(2-fluoro-3-pyridinyl)-N-methylbut-3-en-1-amine?
The InChIKey is TVHJYOFZBPQAHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2/c1-12-7-3-2-5-9-6-4-8-13-10(9)11/h2,4-6,8,12H,3,7H2,1H3.
What are the key properties of 4-(2-fluoro-3-pyridinyl)-N-methylbut-3-en-1-amine?
4-(2-fluoro-3-pyridinyl)-N-methylbut-3-en-1-amine has a molecular weight of 180.23 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-3-pyridinyl)-N-methylbut-3-en-1-amine is sourced from PubChem (CID 170495257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).