(1S)-1-(5-fluoro-6-methyl-2-pyridinyl)but-3-en-1-amine

C10H13FN2 — CID 55293036

IUPAC(1S)-1-(5-fluoro-6-methyl-2-pyridinyl)but-3-en-1-amine
SMILESC=CC[C@H](N)c1ccc(F)c(C)n1
InChIInChI=1S/C10H13FN2/c1-3-4-9(12)10-6-5-8(11)7(2)13-10/h3,5-6,9H,1,4,12H2,2H3/t9-/m0/s1
InChIKeyBNBPDPRPISRTAW-VIFPVBQESA-N
MW180.23 g/mol
LogP2.11
Rot. Bonds3

About (1S)-1-(5-fluoro-6-methyl-2-pyridinyl)but-3-en-1-amine

(1S)-1-(5-fluoro-6-methyl-2-pyridinyl)but-3-en-1-amine (PubChem CID 55293036) has the molecular formula C10H13FN2 and a molecular weight of 180.23 g/mol. Its IUPAC name is (1S)-1-(5-fluoro-6-methyl-2-pyridinyl)but-3-en-1-amine.

Molecular Properties

Compound Name(1S)-1-(5-fluoro-6-methyl-2-pyridinyl)but-3-en-1-amine
PubChem CID55293036
Molecular FormulaC10H13FN2
Molecular Weight180.23 g/mol
Exact Mass180.11
IUPAC Name(1S)-1-(5-fluoro-6-methyl-2-pyridinyl)but-3-en-1-amine
SMILESC=CC[C@H](N)c1ccc(F)c(C)n1
InChIInChI=1S/C10H13FN2/c1-3-4-9(12)10-6-5-8(11)7(2)13-10/h3,5-6,9H,1,4,12H2,2H3/t9-/m0/s1
InChIKeyBNBPDPRPISRTAW-VIFPVBQESA-N
XLogP2.11
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 ≤ 52.11
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

(1R)-1-(5-fluoro-6-methyl-2-pyridinyl)prop-2-en-1-amine
CID 55273784
1-(5-fluoro-6-methyl-2-pyridinyl)-2-methoxyethanamine
CID 55292661
(1S)-1-(5-fluoro-6-methyl-2-pyridinyl)-2-methoxyethanamine
CID 131029062
1-(5-fluoro-6-methyl-2-pyridinyl)pentan-1-amine
CID 55268522
(1S)-1-(6-methyl-2-pyridinyl)but-3-en-1-amine
CID 55293021
(3S)-3-amino-3-(5-fluoro-6-methyl-2-pyridinyl)propanoic acid
CID 55271961
1-(6-chloro-2-pyridinyl)but-3-en-1-amine
CID 55294039
(1R)-1-(2,3,6-trifluorophenyl)but-3-en-1-amine
CID 130663847
2-[(1S)-1-aminobut-3-enyl]-4-fluoro-3-methylphenol
CID 55269488
2-[(1R)-1-aminobut-3-enyl]-6-fluoro-3-methylphenol;hydrochloride
CID 171256884
(1R)-1-(6-bromo-2-pyridinyl)but-3-en-1-amine;hydrochloride
CID 171203392
(1S)-1-(3-fluoro-2-methylphenyl)but-3-en-1-amine
CID 131079548

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(5-fluoro-6-methyl-2-pyridinyl)but-3-en-1-amine?
The IUPAC name of (1S)-1-(5-fluoro-6-methyl-2-pyridinyl)but-3-en-1-amine (CID 55293036) is (1S)-1-(5-fluoro-6-methyl-2-pyridinyl)but-3-en-1-amine.
What is the SMILES notation for (1S)-1-(5-fluoro-6-methyl-2-pyridinyl)but-3-en-1-amine?
The canonical SMILES for (1S)-1-(5-fluoro-6-methyl-2-pyridinyl)but-3-en-1-amine is C=CC[C@H](N)c1ccc(F)c(C)n1.
What is the InChIKey of (1S)-1-(5-fluoro-6-methyl-2-pyridinyl)but-3-en-1-amine?
The InChIKey is BNBPDPRPISRTAW-VIFPVBQESA-N. The full InChI is InChI=1S/C10H13FN2/c1-3-4-9(12)10-6-5-8(11)7(2)13-10/h3,5-6,9H,1,4,12H2,2H3/t9-/m0/s1.
What are the key properties of (1S)-1-(5-fluoro-6-methyl-2-pyridinyl)but-3-en-1-amine?
(1S)-1-(5-fluoro-6-methyl-2-pyridinyl)but-3-en-1-amine has a molecular weight of 180.23 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(5-fluoro-6-methyl-2-pyridinyl)but-3-en-1-amine is sourced from PubChem (CID 55293036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).