5-bromo-3-fluoro-N-[(E)-pent-3-enyl]pyridin-2-amine

C10H12BrFN2 — CID 104924312

IUPAC5-bromo-3-fluoro-N-[(E)-pent-3-enyl]pyridin-2-amine
SMILESC/C=C/CCNc1ncc(Br)cc1F
InChIInChI=1S/C10H12BrFN2/c1-2-3-4-5-13-10-9(12)6-8(11)7-14-10/h2-3,6-7H,4-5H2,1H3,(H,13,14)/b3-2+
InChIKeyWFXMKMVWKNFSOE-NSCUHMNNSA-N
MW259.12 g/mol
LogP3.36
Rot. Bonds4

About 5-bromo-3-fluoro-N-[(E)-pent-3-enyl]pyridin-2-amine

5-bromo-3-fluoro-N-[(E)-pent-3-enyl]pyridin-2-amine (PubChem CID 104924312) has the molecular formula C10H12BrFN2 and a molecular weight of 259.12 g/mol. Its IUPAC name is 5-bromo-3-fluoro-N-[(E)-pent-3-enyl]pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-3-fluoro-N-[(E)-pent-3-enyl]pyridin-2-amine
PubChem CID104924312
Molecular FormulaC10H12BrFN2
Molecular Weight259.12 g/mol
Exact Mass258.02
IUPAC Name5-bromo-3-fluoro-N-[(E)-pent-3-enyl]pyridin-2-amine
SMILESC/C=C/CCNc1ncc(Br)cc1F
InChIInChI=1S/C10H12BrFN2/c1-2-3-4-5-13-10-9(12)6-8(11)7-14-10/h2-3,6-7H,4-5H2,1H3,(H,13,14)/b3-2+
InChIKeyWFXMKMVWKNFSOE-NSCUHMNNSA-N
XLogP3.36
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.12
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-bromo-3-fluoro-N-[(E)-pent-3-enyl]pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Amino-5-bromopyridine
CID 70622
2-Pyridinamine, N-methyl-
CID 20727
1-(5-Bromo-2-pyridyl)-3-[2-(1-piperidyl)ethyl]thiourea
CID 3001803
1-(5-Bromopyridin-2-yl)-3-[2-(cyclohexen-1-yl)ethyl]thiourea
CID 3002105
N1,N1-Dimethyl-N2-2-pyridinyl-1,2-ethanediamine
CID 90273
2-Amino-3-bromo-5-fluoropyridine
CID 16126434
1-(5-Bromopyridin-2-yl)piperazine
CID 16414227
1-(3-Fluoro-2-pyridinyl)piperazine
CID 134987
[[(5-Bromo-2-pyridyl)amino]-phosphono-methyl]phosphonic acid
CID 405381
1-(5-Bromo-2-pyridyl)-3-(2-piperazin-1-ylethyl)thiourea
CID 3001802
3,5-Dibromo-2-pyridylamine
CID 98851
2-Allylaminopyridine
CID 260916

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-fluoro-N-[(E)-pent-3-enyl]pyridin-2-amine?
The IUPAC name of 5-bromo-3-fluoro-N-[(E)-pent-3-enyl]pyridin-2-amine (CID 104924312) is 5-bromo-3-fluoro-N-[(E)-pent-3-enyl]pyridin-2-amine.
What is the SMILES notation for 5-bromo-3-fluoro-N-[(E)-pent-3-enyl]pyridin-2-amine?
The canonical SMILES for 5-bromo-3-fluoro-N-[(E)-pent-3-enyl]pyridin-2-amine is C/C=C/CCNc1ncc(Br)cc1F.
What is the InChIKey of 5-bromo-3-fluoro-N-[(E)-pent-3-enyl]pyridin-2-amine?
The InChIKey is WFXMKMVWKNFSOE-NSCUHMNNSA-N. The full InChI is InChI=1S/C10H12BrFN2/c1-2-3-4-5-13-10-9(12)6-8(11)7-14-10/h2-3,6-7H,4-5H2,1H3,(H,13,14)/b3-2+.
What are the key properties of 5-bromo-3-fluoro-N-[(E)-pent-3-enyl]pyridin-2-amine?
5-bromo-3-fluoro-N-[(E)-pent-3-enyl]pyridin-2-amine has a molecular weight of 259.12 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-fluoro-N-[(E)-pent-3-enyl]pyridin-2-amine is sourced from PubChem (CID 104924312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).