5-bromo-N-(2-bromoprop-2-enyl)-3-fluoropyridin-2-amine

C8H7Br2FN2 — CID 104924052

IUPAC5-bromo-N-(2-bromoprop-2-enyl)-3-fluoropyridin-2-amine
SMILESC=C(Br)CNc1ncc(Br)cc1F
InChIInChI=1S/C8H7Br2FN2/c1-5(9)3-12-8-7(11)2-6(10)4-13-8/h2,4H,1,3H2,(H,12,13)
InChIKeyWJMBGEIBEPWROM-UHFFFAOYSA-N
MW309.96 g/mol
LogP3.30
Rot. Bonds3

About 5-bromo-N-(2-bromoprop-2-enyl)-3-fluoropyridin-2-amine

5-bromo-N-(2-bromoprop-2-enyl)-3-fluoropyridin-2-amine (PubChem CID 104924052) has the molecular formula C8H7Br2FN2 and a molecular weight of 309.96 g/mol. Its IUPAC name is 5-bromo-N-(2-bromoprop-2-enyl)-3-fluoropyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-(2-bromoprop-2-enyl)-3-fluoropyridin-2-amine
PubChem CID104924052
Molecular FormulaC8H7Br2FN2
Molecular Weight309.96 g/mol
Exact Mass307.90
IUPAC Name5-bromo-N-(2-bromoprop-2-enyl)-3-fluoropyridin-2-amine
SMILESC=C(Br)CNc1ncc(Br)cc1F
InChIInChI=1S/C8H7Br2FN2/c1-5(9)3-12-8-7(11)2-6(10)4-13-8/h2,4H,1,3H2,(H,12,13)
InChIKeyWJMBGEIBEPWROM-UHFFFAOYSA-N
XLogP3.30
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.96
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-(2,2-difluoroethyl)-3-fluoropyridin-2-amine
CID 104924591
4-[[(5-bromo-3-fluoro-2-pyridinyl)amino]methyl]cyclohexan-1-ol
CID 106129928
3-bromo-N-(2-bromoprop-2-enyl)-5-methylpyridin-2-amine
CID 105367126
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
3,5-difluoro-N-(2-methylprop-2-enyl)pyridin-2-amine
CID 114617532
1-[(5-bromo-3-fluoro-2-pyridinyl)amino]-3-methoxypropan-2-ol
CID 104919061
5-bromo-3-fluoro-N-(2-pyrazol-1-ylethyl)pyridin-2-amine
CID 104918929
5-bromo-3-fluoro-N-[(E)-pent-3-enyl]pyridin-2-amine
CID 104924312
5-bromo-3-fluoro-N-(3-methylpentan-3-yl)pyridin-2-amine
CID 106329358
1-[(5-bromo-3-fluoro-2-pyridinyl)amino]-4-methoxy-2-methylbutan-2-ol
CID 106253455
5-bromo-N-(2-chloroprop-2-enyl)-3-(trifluoromethyl)pyridin-2-amine
CID 106796361

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-bromoprop-2-enyl)-3-fluoropyridin-2-amine?
The IUPAC name of 5-bromo-N-(2-bromoprop-2-enyl)-3-fluoropyridin-2-amine (CID 104924052) is 5-bromo-N-(2-bromoprop-2-enyl)-3-fluoropyridin-2-amine.
What is the SMILES notation for 5-bromo-N-(2-bromoprop-2-enyl)-3-fluoropyridin-2-amine?
The canonical SMILES for 5-bromo-N-(2-bromoprop-2-enyl)-3-fluoropyridin-2-amine is C=C(Br)CNc1ncc(Br)cc1F.
What is the InChIKey of 5-bromo-N-(2-bromoprop-2-enyl)-3-fluoropyridin-2-amine?
The InChIKey is WJMBGEIBEPWROM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Br2FN2/c1-5(9)3-12-8-7(11)2-6(10)4-13-8/h2,4H,1,3H2,(H,12,13).
What are the key properties of 5-bromo-N-(2-bromoprop-2-enyl)-3-fluoropyridin-2-amine?
5-bromo-N-(2-bromoprop-2-enyl)-3-fluoropyridin-2-amine has a molecular weight of 309.96 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-bromoprop-2-enyl)-3-fluoropyridin-2-amine is sourced from PubChem (CID 104924052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).