(1R)-1-(2-bromo-5-chloro-4-pyridinyl)ethanamine

C7H8BrClN2 — CID 131014131

IUPAC(1R)-1-(2-bromo-5-chloro-4-pyridinyl)ethanamine
SMILESC[C@@H](N)c1cc(Br)ncc1Cl
InChIInChI=1S/C7H8BrClN2/c1-4(10)5-2-7(8)11-3-6(5)9/h2-4H,10H2,1H3/t4-/m1/s1
InChIKeyNAWZUNWSSHTLGA-SCSAIBSYSA-N
MW235.51 g/mol
LogP2.52
Rot. Bonds1

About (1R)-1-(2-bromo-5-chloro-4-pyridinyl)ethanamine

(1R)-1-(2-bromo-5-chloro-4-pyridinyl)ethanamine (PubChem CID 131014131) has the molecular formula C7H8BrClN2 and a molecular weight of 235.51 g/mol. Its IUPAC name is (1R)-1-(2-bromo-5-chloro-4-pyridinyl)ethanamine.

Molecular Properties

Compound Name(1R)-1-(2-bromo-5-chloro-4-pyridinyl)ethanamine
PubChem CID131014131
Molecular FormulaC7H8BrClN2
Molecular Weight235.51 g/mol
Exact Mass233.96
IUPAC Name(1R)-1-(2-bromo-5-chloro-4-pyridinyl)ethanamine
SMILESC[C@@H](N)c1cc(Br)ncc1Cl
InChIInChI=1S/C7H8BrClN2/c1-4(10)5-2-7(8)11-3-6(5)9/h2-4H,10H2,1H3/t4-/m1/s1
InChIKeyNAWZUNWSSHTLGA-SCSAIBSYSA-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

Computed Properties (RDKit)

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

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Related Compounds

(1R)-1-(4-chloro-6-methyl-3-pyridinyl)ethanamine
CID 130645436
2-bromo-5-chloro-4-methylpyridine;ethane
CID 144611479
2,5-dibromo-4-propan-2-ylpyridine
CID 122715591
1-(3-bromo-5-chloro-2-pyridinyl)ethanamine
CID 71744170
(1R)-1-(3-bromo-5-chloro-2-pyridinyl)ethanamine
CID 97136038
(1R)-1-(6-chloro-4-methyl-3-pyridinyl)ethanamine
CID 55275523
(1R,2S)-1-amino-1-(2,5-dichloro-4-pyridinyl)propan-2-ol
CID 130701561
(2-bromo-5-chloro-4-pyridinyl)-(2,5-difluorophenyl)methanol
CID 23114659
1-(2-chloro-5-methyl-3-pyridinyl)ethanamine
CID 55292913
1-(3-chloro-5-methyl-2-pyridinyl)ethanamine
CID 172571190
1-(5-bromo-4-chloro-2-methylphenyl)ethanamine
CID 84803604
5-[(1R)-1-aminoethyl]-6-chloropyridin-3-amine
CID 55273606

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-bromo-5-chloro-4-pyridinyl)ethanamine?
The IUPAC name of (1R)-1-(2-bromo-5-chloro-4-pyridinyl)ethanamine (CID 131014131) is (1R)-1-(2-bromo-5-chloro-4-pyridinyl)ethanamine.
What is the SMILES notation for (1R)-1-(2-bromo-5-chloro-4-pyridinyl)ethanamine?
The canonical SMILES for (1R)-1-(2-bromo-5-chloro-4-pyridinyl)ethanamine is C[C@@H](N)c1cc(Br)ncc1Cl.
What is the InChIKey of (1R)-1-(2-bromo-5-chloro-4-pyridinyl)ethanamine?
The InChIKey is NAWZUNWSSHTLGA-SCSAIBSYSA-N. The full InChI is InChI=1S/C7H8BrClN2/c1-4(10)5-2-7(8)11-3-6(5)9/h2-4H,10H2,1H3/t4-/m1/s1.
What are the key properties of (1R)-1-(2-bromo-5-chloro-4-pyridinyl)ethanamine?
(1R)-1-(2-bromo-5-chloro-4-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 (1R)-1-(2-bromo-5-chloro-4-pyridinyl)ethanamine is sourced from PubChem (CID 131014131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).