5-bromo-3-fluoro-N-(2-methylsulfanylethyl)pyridin-2-amine

C8H10BrFN2S — CID 104923732

IUPAC5-bromo-3-fluoro-N-(2-methylsulfanylethyl)pyridin-2-amine
SMILESCSCCNc1ncc(Br)cc1F
InChIInChI=1S/C8H10BrFN2S/c1-13-3-2-11-8-7(10)4-6(9)5-12-8/h4-5H,2-3H2,1H3,(H,11,12)
InChIKeyIXRRIIPBIAOGLG-UHFFFAOYSA-N
MW265.15 g/mol
LogP2.76
Rot. Bonds4

About 5-bromo-3-fluoro-N-(2-methylsulfanylethyl)pyridin-2-amine

5-bromo-3-fluoro-N-(2-methylsulfanylethyl)pyridin-2-amine (PubChem CID 104923732) has the molecular formula C8H10BrFN2S and a molecular weight of 265.15 g/mol. Its IUPAC name is 5-bromo-3-fluoro-N-(2-methylsulfanylethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-3-fluoro-N-(2-methylsulfanylethyl)pyridin-2-amine
PubChem CID104923732
Molecular FormulaC8H10BrFN2S
Molecular Weight265.15 g/mol
Exact Mass263.97
IUPAC Name5-bromo-3-fluoro-N-(2-methylsulfanylethyl)pyridin-2-amine
SMILESCSCCNc1ncc(Br)cc1F
InChIInChI=1S/C8H10BrFN2S/c1-13-3-2-11-8-7(10)4-6(9)5-12-8/h4-5H,2-3H2,1H3,(H,11,12)
InChIKeyIXRRIIPBIAOGLG-UHFFFAOYSA-N
XLogP2.76
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.15
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-3-fluoro-N-(2-methylsulfanylethyl)pyridin-2-amine
CID 79728558
N-(5-bromo-3-fluoro-2-pyridinyl)-N',N'-dimethylethane-1,2-diamine
CID 104923678
5-bromo-3-fluoro-N-[(E)-pent-3-enyl]pyridin-2-amine
CID 104924312
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-chloro-3-fluoro-N-(5-methylsulfanylpentyl)pyridin-2-amine
CID 104925521
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
N-[3-(2-aminoethoxy)propyl]-5-bromo-3-fluoropyridin-2-amine
CID 106308312
5-bromo-N-(2-cyclohexylethyl)-3-fluoropyridin-2-amine
CID 114046501
5-bromo-N-(2-bromoprop-2-enyl)-3-fluoropyridin-2-amine
CID 104924052

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-fluoro-N-(2-methylsulfanylethyl)pyridin-2-amine?
The IUPAC name of 5-bromo-3-fluoro-N-(2-methylsulfanylethyl)pyridin-2-amine (CID 104923732) is 5-bromo-3-fluoro-N-(2-methylsulfanylethyl)pyridin-2-amine.
What is the SMILES notation for 5-bromo-3-fluoro-N-(2-methylsulfanylethyl)pyridin-2-amine?
The canonical SMILES for 5-bromo-3-fluoro-N-(2-methylsulfanylethyl)pyridin-2-amine is CSCCNc1ncc(Br)cc1F.
What is the InChIKey of 5-bromo-3-fluoro-N-(2-methylsulfanylethyl)pyridin-2-amine?
The InChIKey is IXRRIIPBIAOGLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrFN2S/c1-13-3-2-11-8-7(10)4-6(9)5-12-8/h4-5H,2-3H2,1H3,(H,11,12).
What are the key properties of 5-bromo-3-fluoro-N-(2-methylsulfanylethyl)pyridin-2-amine?
5-bromo-3-fluoro-N-(2-methylsulfanylethyl)pyridin-2-amine has a molecular weight of 265.15 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-fluoro-N-(2-methylsulfanylethyl)pyridin-2-amine is sourced from PubChem (CID 104923732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).