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

C7H8BrClN2 — CID 71744170

IUPAC1-(3-bromo-5-chloro-2-pyridinyl)ethanamine
SMILESCC(N)c1ncc(Cl)cc1Br
InChIInChI=1S/C7H8BrClN2/c1-4(10)7-6(8)2-5(9)3-11-7/h2-4H,10H2,1H3
InChIKeyAPDSIEIWWORMMP-UHFFFAOYSA-N
MW235.51 g/mol
LogP2.52
Rot. Bonds1

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

1-(3-bromo-5-chloro-2-pyridinyl)ethanamine (PubChem CID 71744170) has the molecular formula C7H8BrClN2 and a molecular weight of 235.51 g/mol. Its IUPAC name is 1-(3-bromo-5-chloro-2-pyridinyl)ethanamine.

Molecular Properties

Compound Name1-(3-bromo-5-chloro-2-pyridinyl)ethanamine
PubChem CID71744170
Molecular FormulaC7H8BrClN2
Molecular Weight235.51 g/mol
Exact Mass233.96
IUPAC Name1-(3-bromo-5-chloro-2-pyridinyl)ethanamine
SMILESCC(N)c1ncc(Cl)cc1Br
InChIInChI=1S/C7H8BrClN2/c1-4(10)7-6(8)2-5(9)3-11-7/h2-4H,10H2,1H3
InChIKeyAPDSIEIWWORMMP-UHFFFAOYSA-N
XLogP2.52
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.51
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(3-bromo-5-chloro-2-pyridinyl)ethanamine
CID 97136038
1-(3-bromo-5-chloro-2-pyridinyl)ethanol
CID 71744171
(1S)-1-(3-bromo-5-chloro-2-pyridinyl)-N-methylethanamine
CID 130737820
(1S)-1-(3-bromo-5-fluoro-2-pyridinyl)ethanamine
CID 122237447
1-(3-bromo-5-fluoro-2-pyridinyl)ethanamine;hydrochloride
CID 154727553
1-(3-chloro-5-methyl-2-pyridinyl)ethanamine
CID 172571190
propan-2-yl 3-bromo-5-chloropyridine-2-carboxylate
CID 133063626
3-bromo-N-but-3-en-2-yl-5-chloropyridin-2-amine
CID 114836115
3-bromo-N-butan-2-yl-5-chloro-N-ethylpyridin-2-amine
CID 114836698
(1R)-1-(2-bromo-5-chloro-4-pyridinyl)ethanamine
CID 131014131
2-[(1S)-1-aminoethyl]-6-bromo-4-chlorophenol
CID 130783623
(1S)-1-(5-chloro-2-fluoro-3-pyridinyl)ethanamine
CID 130907422

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-chloro-2-pyridinyl)ethanamine?
The IUPAC name of 1-(3-bromo-5-chloro-2-pyridinyl)ethanamine (CID 71744170) is 1-(3-bromo-5-chloro-2-pyridinyl)ethanamine.
What is the SMILES notation for 1-(3-bromo-5-chloro-2-pyridinyl)ethanamine?
The canonical SMILES for 1-(3-bromo-5-chloro-2-pyridinyl)ethanamine is CC(N)c1ncc(Cl)cc1Br.
What is the InChIKey of 1-(3-bromo-5-chloro-2-pyridinyl)ethanamine?
The InChIKey is APDSIEIWWORMMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrClN2/c1-4(10)7-6(8)2-5(9)3-11-7/h2-4H,10H2,1H3.
What are the key properties of 1-(3-bromo-5-chloro-2-pyridinyl)ethanamine?
1-(3-bromo-5-chloro-2-pyridinyl)ethanamine has a molecular weight of 235.51 g/mol, XLogP of 2.52, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-chloro-2-pyridinyl)ethanamine is sourced from PubChem (CID 71744170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).