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'}

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Related Compounds

N-(5-bromo-3-fluoro-2-pyridinyl)-N',N'-dimethylethane-1,2-diamine
CID 104923678
5-bromo-3-fluoro-N-(2-methylsulfanylethyl)pyridin-2-amine
CID 104923732
5-bromo-N-(3-ethoxypropyl)-3-fluoropyridin-2-amine
CID 104923688
5-bromo-3-fluoro-N-(3-propan-2-yloxybutyl)pyridin-2-amine
CID 146237825
5-bromo-N-(2,2-difluoroethyl)-3-fluoropyridin-2-amine
CID 104924591
5-bromo-3-fluoro-N-(2-imidazol-1-ylethyl)pyridin-2-amine
CID 104923734
5-bromo-3-fluoro-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyridin-2-amine
CID 104924731
5-bromo-3-fluoro-N-(4-propan-2-yloxybutyl)pyridin-2-amine
CID 104925322
3-[(5-bromo-3-fluoro-2-pyridinyl)amino]-N-(2-methoxyethyl)propanamide
CID 104923993
5-bromo-N-[2-(5-chlorothiophen-2-yl)ethyl]-3-fluoropyridin-2-amine
CID 106039969
N-[3-(2-aminoethoxy)propyl]-5-bromo-3-fluoropyridin-2-amine
CID 106308312
5-bromo-N-(2-cyclohexylethyl)-3-fluoropyridin-2-amine
CID 114046501

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).