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

C7H8BrClN2 — CID 97136038

IUPAC(1R)-1-(3-bromo-5-chloro-2-pyridinyl)ethanamine
SMILESC[C@@H](N)c1ncc(Cl)cc1Br
InChIInChI=1S/C7H8BrClN2/c1-4(10)7-6(8)2-5(9)3-11-7/h2-4H,10H2,1H3/t4-/m1/s1
InChIKeyAPDSIEIWWORMMP-SCSAIBSYSA-N
MW235.51 g/mol
LogP2.52
Rot. Bonds1

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

(1R)-1-(3-bromo-5-chloro-2-pyridinyl)ethanamine (PubChem CID 97136038) has the molecular formula C7H8BrClN2 and a molecular weight of 235.51 g/mol. Its IUPAC name is (1R)-1-(3-bromo-5-chloro-2-pyridinyl)ethanamine.

Molecular Properties

Compound Name(1R)-1-(3-bromo-5-chloro-2-pyridinyl)ethanamine
PubChem CID97136038
Molecular FormulaC7H8BrClN2
Molecular Weight235.51 g/mol
Exact Mass233.96
IUPAC Name(1R)-1-(3-bromo-5-chloro-2-pyridinyl)ethanamine
SMILESC[C@@H](N)c1ncc(Cl)cc1Br
InChIInChI=1S/C7H8BrClN2/c1-4(10)7-6(8)2-5(9)3-11-7/h2-4H,10H2,1H3/t4-/m1/s1
InChIKeyAPDSIEIWWORMMP-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

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-bromo-5-chloro-2-pyridinyl)ethanamine?
The IUPAC name of (1R)-1-(3-bromo-5-chloro-2-pyridinyl)ethanamine (CID 97136038) is (1R)-1-(3-bromo-5-chloro-2-pyridinyl)ethanamine.
What is the SMILES notation for (1R)-1-(3-bromo-5-chloro-2-pyridinyl)ethanamine?
The canonical SMILES for (1R)-1-(3-bromo-5-chloro-2-pyridinyl)ethanamine is C[C@@H](N)c1ncc(Cl)cc1Br.
What is the InChIKey of (1R)-1-(3-bromo-5-chloro-2-pyridinyl)ethanamine?
The InChIKey is APDSIEIWWORMMP-SCSAIBSYSA-N. The full InChI is InChI=1S/C7H8BrClN2/c1-4(10)7-6(8)2-5(9)3-11-7/h2-4H,10H2,1H3/t4-/m1/s1.
What are the key properties of (1R)-1-(3-bromo-5-chloro-2-pyridinyl)ethanamine?
(1R)-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 (1R)-1-(3-bromo-5-chloro-2-pyridinyl)ethanamine is sourced from PubChem (CID 97136038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).