1-(2-bromo-5-fluoro-3-pyridinyl)ethanamine

C7H8BrFN2 — CID 133059607

IUPAC1-(2-bromo-5-fluoro-3-pyridinyl)ethanamine
SMILESCC(N)c1cc(F)cnc1Br
InChIInChI=1S/C7H8BrFN2/c1-4(10)6-2-5(9)3-11-7(6)8/h2-4H,10H2,1H3
InChIKeyUUAFMJDAYPCRFT-UHFFFAOYSA-N
MW219.06 g/mol
LogP2.00
Rot. Bonds1

About 1-(2-bromo-5-fluoro-3-pyridinyl)ethanamine

1-(2-bromo-5-fluoro-3-pyridinyl)ethanamine (PubChem CID 133059607) has the molecular formula C7H8BrFN2 and a molecular weight of 219.06 g/mol. Its IUPAC name is 1-(2-bromo-5-fluoro-3-pyridinyl)ethanamine.

Molecular Properties

Compound Name1-(2-bromo-5-fluoro-3-pyridinyl)ethanamine
PubChem CID133059607
Molecular FormulaC7H8BrFN2
Molecular Weight219.06 g/mol
Exact Mass217.99
IUPAC Name1-(2-bromo-5-fluoro-3-pyridinyl)ethanamine
SMILESCC(N)c1cc(F)cnc1Br
InChIInChI=1S/C7H8BrFN2/c1-4(10)6-2-5(9)3-11-7(6)8/h2-4H,10H2,1H3
InChIKeyUUAFMJDAYPCRFT-UHFFFAOYSA-N
XLogP2.00
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.06
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-(5-fluoro-2-methoxy-3-pyridinyl)ethanamine;dihydrochloride
CID 162422590
(1S)-1-(3-bromo-5-fluoro-2-pyridinyl)ethanamine
CID 122237447
1-(3-bromo-5-fluoro-2-pyridinyl)ethanamine;hydrochloride
CID 154727553
1-(2-bromo-5-fluorophenyl)ethanamine
CID 83350018
2-[(1R)-1-aminoethyl]-6-bromo-4-fluoroaniline
CID 131118932
(1R)-1-(1-bromo-3-chloro-7-fluoroisoquinolin-5-yl)ethanamine
CID 178041098
1-(5-fluoropyrimidin-2-yl)ethanamine
CID 50994814
2-bromo-5-fluoropyridine-3-thiol
CID 119001198
(1R)-1-[2-(4-bromopyrazol-1-yl)-5-fluorophenyl]ethanamine
CID 63369135
(1R)-1-(2-bromo-5-chloro-4-pyridinyl)ethanamine
CID 131014131
(1S)-1-(5-chloro-2-fluoro-3-pyridinyl)ethanamine
CID 130907422
(1S)-1-(2,5-difluorophenyl)ethanamine;hydrochloride
CID 53484729

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-fluoro-3-pyridinyl)ethanamine?
The IUPAC name of 1-(2-bromo-5-fluoro-3-pyridinyl)ethanamine (CID 133059607) is 1-(2-bromo-5-fluoro-3-pyridinyl)ethanamine.
What is the SMILES notation for 1-(2-bromo-5-fluoro-3-pyridinyl)ethanamine?
The canonical SMILES for 1-(2-bromo-5-fluoro-3-pyridinyl)ethanamine is CC(N)c1cc(F)cnc1Br.
What is the InChIKey of 1-(2-bromo-5-fluoro-3-pyridinyl)ethanamine?
The InChIKey is UUAFMJDAYPCRFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrFN2/c1-4(10)6-2-5(9)3-11-7(6)8/h2-4H,10H2,1H3.
What are the key properties of 1-(2-bromo-5-fluoro-3-pyridinyl)ethanamine?
1-(2-bromo-5-fluoro-3-pyridinyl)ethanamine has a molecular weight of 219.06 g/mol, XLogP of 2.00, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-fluoro-3-pyridinyl)ethanamine is sourced from PubChem (CID 133059607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).