(1S)-1-(5-bromo-2-chloro-4-pyridinyl)-N-methylethanamine

C8H10BrClN2 — CID 130737898

IUPAC(1S)-1-(5-bromo-2-chloro-4-pyridinyl)-N-methylethanamine
SMILESCN[C@@H](C)c1cc(Cl)ncc1Br
InChIInChI=1S/C8H10BrClN2/c1-5(11-2)6-3-8(10)12-4-7(6)9/h3-5,11H,1-2H3/t5-/m0/s1
InChIKeyXWGVSAUAOOQUTH-YFKPBYRVSA-N
MW249.54 g/mol
LogP2.78
Rot. Bonds2

About (1S)-1-(5-bromo-2-chloro-4-pyridinyl)-N-methylethanamine

(1S)-1-(5-bromo-2-chloro-4-pyridinyl)-N-methylethanamine (PubChem CID 130737898) has the molecular formula C8H10BrClN2 and a molecular weight of 249.54 g/mol. Its IUPAC name is (1S)-1-(5-bromo-2-chloro-4-pyridinyl)-N-methylethanamine.

Molecular Properties

Compound Name(1S)-1-(5-bromo-2-chloro-4-pyridinyl)-N-methylethanamine
PubChem CID130737898
Molecular FormulaC8H10BrClN2
Molecular Weight249.54 g/mol
Exact Mass247.97
IUPAC Name(1S)-1-(5-bromo-2-chloro-4-pyridinyl)-N-methylethanamine
SMILESCN[C@@H](C)c1cc(Cl)ncc1Br
InChIInChI=1S/C8H10BrClN2/c1-5(11-2)6-3-8(10)12-4-7(6)9/h3-5,11H,1-2H3/t5-/m0/s1
InChIKeyXWGVSAUAOOQUTH-YFKPBYRVSA-N
XLogP2.78
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.54
LogP ≤ 52.78
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

5-bromo-4-[(1R)-1-(methylamino)ethyl]pyridin-2-amine
CID 130699255
(1S)-1-(2-bromo-5-chlorophenyl)-N-methylethanamine
CID 131168067
(1S)-1-(3-bromo-5-chloro-2-pyridinyl)-N-methylethanamine
CID 130737820
1-(2-bromo-5-chloro-4-methylphenyl)-N-methylethanamine
CID 126980983
5-bromo-4-(5-bromo-2-chloro-4-pyridinyl)-2-chloropyridine
CID 46220750
5-bromo-2-chloro-4-(2-methylpropoxy)pyridine
CID 162680709
(1S)-1-(2-bromo-4,5-difluorophenyl)-N-methylethanamine
CID 131091332
1-(4-bromo-5-chlorothiophen-2-yl)-N-methylethanamine
CID 102828282
(4,6-dichloro-3-pyridinyl)-(methylamino)methanol
CID 163606144
1-(3-bromo-5-chloro-2-methoxyphenyl)-N-methylethanamine
CID 43480286
5-bromo-2-chloropyridin-4-amine
CID 37030051
(1S)-1-(2-bromophenyl)-N-methylethanamine
CID 30122083

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(5-bromo-2-chloro-4-pyridinyl)-N-methylethanamine?
The IUPAC name of (1S)-1-(5-bromo-2-chloro-4-pyridinyl)-N-methylethanamine (CID 130737898) is (1S)-1-(5-bromo-2-chloro-4-pyridinyl)-N-methylethanamine.
What is the SMILES notation for (1S)-1-(5-bromo-2-chloro-4-pyridinyl)-N-methylethanamine?
The canonical SMILES for (1S)-1-(5-bromo-2-chloro-4-pyridinyl)-N-methylethanamine is CN[C@@H](C)c1cc(Cl)ncc1Br.
What is the InChIKey of (1S)-1-(5-bromo-2-chloro-4-pyridinyl)-N-methylethanamine?
The InChIKey is XWGVSAUAOOQUTH-YFKPBYRVSA-N. The full InChI is InChI=1S/C8H10BrClN2/c1-5(11-2)6-3-8(10)12-4-7(6)9/h3-5,11H,1-2H3/t5-/m0/s1.
What are the key properties of (1S)-1-(5-bromo-2-chloro-4-pyridinyl)-N-methylethanamine?
(1S)-1-(5-bromo-2-chloro-4-pyridinyl)-N-methylethanamine has a molecular weight of 249.54 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(5-bromo-2-chloro-4-pyridinyl)-N-methylethanamine is sourced from PubChem (CID 130737898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).