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

C10H13FN2 — CID 130673428

IUPAC(1S)-1-(6-fluoro-5-methyl-3-pyridinyl)but-3-en-1-amine
SMILESC=CC[C@H](N)c1cnc(F)c(C)c1
InChIInChI=1S/C10H13FN2/c1-3-4-9(12)8-5-7(2)10(11)13-6-8/h3,5-6,9H,1,4,12H2,2H3/t9-/m0/s1
InChIKeyHPBWSWYLHSWHKF-VIFPVBQESA-N
MW180.23 g/mol
LogP2.11
Rot. Bonds3

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

(1S)-1-(6-fluoro-5-methyl-3-pyridinyl)but-3-en-1-amine (PubChem CID 130673428) has the molecular formula C10H13FN2 and a molecular weight of 180.23 g/mol. Its IUPAC name is (1S)-1-(6-fluoro-5-methyl-3-pyridinyl)but-3-en-1-amine.

Molecular Properties

Compound Name(1S)-1-(6-fluoro-5-methyl-3-pyridinyl)but-3-en-1-amine
PubChem CID130673428
Molecular FormulaC10H13FN2
Molecular Weight180.23 g/mol
Exact Mass180.11
IUPAC Name(1S)-1-(6-fluoro-5-methyl-3-pyridinyl)but-3-en-1-amine
SMILESC=CC[C@H](N)c1cnc(F)c(C)c1
InChIInChI=1S/C10H13FN2/c1-3-4-9(12)8-5-7(2)10(11)13-6-8/h3,5-6,9H,1,4,12H2,2H3/t9-/m0/s1
InChIKeyHPBWSWYLHSWHKF-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': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1S)-1-(6-fluoro-5-methyl-3-pyridinyl)ethane-1,2-diamine
CID 55274137
3-amino-3-(6-fluoro-5-methyl-3-pyridinyl)propanoic acid
CID 55272910
(1S,2S)-1-amino-1-(6-fluoro-5-methyl-3-pyridinyl)propan-2-ol
CID 55292212
(1S)-1-(4-iodo-3-methylphenyl)but-3-en-1-amine
CID 130739983
(1S)-1-quinolin-3-ylbut-3-en-1-amine
CID 55271973
(1R)-1-(5-chloro-3-pyridinyl)but-3-en-1-amine
CID 55292253
(1R)-1-(6-chloro-3-pyridinyl)but-3-en-1-amine;hydrochloride
CID 171198788
(1R)-1-(6-methoxy-3-pyridinyl)but-3-en-1-amine
CID 171203601
5-(1-aminobut-3-enyl)-3-methyl-1H-pyridin-2-one
CID 55293497
1-pyrimidin-5-ylbut-3-en-1-amine
CID 55296439
(1R)-1-(6-bromo-3-pyridinyl)but-3-en-1-amine;hydrochloride
CID 171203312
1-(3-bromo-4-methylphenyl)but-3-en-1-amine
CID 112693680

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(6-fluoro-5-methyl-3-pyridinyl)but-3-en-1-amine?
The IUPAC name of (1S)-1-(6-fluoro-5-methyl-3-pyridinyl)but-3-en-1-amine (CID 130673428) is (1S)-1-(6-fluoro-5-methyl-3-pyridinyl)but-3-en-1-amine.
What is the SMILES notation for (1S)-1-(6-fluoro-5-methyl-3-pyridinyl)but-3-en-1-amine?
The canonical SMILES for (1S)-1-(6-fluoro-5-methyl-3-pyridinyl)but-3-en-1-amine is C=CC[C@H](N)c1cnc(F)c(C)c1.
What is the InChIKey of (1S)-1-(6-fluoro-5-methyl-3-pyridinyl)but-3-en-1-amine?
The InChIKey is HPBWSWYLHSWHKF-VIFPVBQESA-N. The full InChI is InChI=1S/C10H13FN2/c1-3-4-9(12)8-5-7(2)10(11)13-6-8/h3,5-6,9H,1,4,12H2,2H3/t9-/m0/s1.
What are the key properties of (1S)-1-(6-fluoro-5-methyl-3-pyridinyl)but-3-en-1-amine?
(1S)-1-(6-fluoro-5-methyl-3-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-(6-fluoro-5-methyl-3-pyridinyl)but-3-en-1-amine is sourced from PubChem (CID 130673428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).