5-bromo-3-chloro-2-[(2R)-piperidin-2-yl]pyridine

C10H12BrClN2 — CID 130713607

IUPAC5-bromo-3-chloro-2-[(2R)-piperidin-2-yl]pyridine
SMILESClc1cc(Br)cnc1[C@H]1CCCCN1
InChIInChI=1S/C10H12BrClN2/c11-7-5-8(12)10(14-6-7)9-3-1-2-4-13-9/h5-6,9,13H,1-4H2/t9-/m1/s1
InChIKeyBOBJNUMZUJQEEB-SECBINFHSA-N
MW275.58 g/mol
LogP3.31
Rot. Bonds1

About 5-bromo-3-chloro-2-[(2R)-piperidin-2-yl]pyridine

5-bromo-3-chloro-2-[(2R)-piperidin-2-yl]pyridine (PubChem CID 130713607) has the molecular formula C10H12BrClN2 and a molecular weight of 275.58 g/mol. Its IUPAC name is 5-bromo-3-chloro-2-[(2R)-piperidin-2-yl]pyridine.

Molecular Properties

Compound Name5-bromo-3-chloro-2-[(2R)-piperidin-2-yl]pyridine
PubChem CID130713607
Molecular FormulaC10H12BrClN2
Molecular Weight275.58 g/mol
Exact Mass273.99
IUPAC Name5-bromo-3-chloro-2-[(2R)-piperidin-2-yl]pyridine
SMILESClc1cc(Br)cnc1[C@H]1CCCCN1
InChIInChI=1S/C10H12BrClN2/c11-7-5-8(12)10(14-6-7)9-3-1-2-4-13-9/h5-6,9,13H,1-4H2/t9-/m1/s1
InChIKeyBOBJNUMZUJQEEB-SECBINFHSA-N
XLogP3.31
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.58
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-chloro-2-[(2R)-piperidin-2-yl]pyridine?
The IUPAC name of 5-bromo-3-chloro-2-[(2R)-piperidin-2-yl]pyridine (CID 130713607) is 5-bromo-3-chloro-2-[(2R)-piperidin-2-yl]pyridine.
What is the SMILES notation for 5-bromo-3-chloro-2-[(2R)-piperidin-2-yl]pyridine?
The canonical SMILES for 5-bromo-3-chloro-2-[(2R)-piperidin-2-yl]pyridine is Clc1cc(Br)cnc1[C@H]1CCCCN1.
What is the InChIKey of 5-bromo-3-chloro-2-[(2R)-piperidin-2-yl]pyridine?
The InChIKey is BOBJNUMZUJQEEB-SECBINFHSA-N. The full InChI is InChI=1S/C10H12BrClN2/c11-7-5-8(12)10(14-6-7)9-3-1-2-4-13-9/h5-6,9,13H,1-4H2/t9-/m1/s1.
What are the key properties of 5-bromo-3-chloro-2-[(2R)-piperidin-2-yl]pyridine?
5-bromo-3-chloro-2-[(2R)-piperidin-2-yl]pyridine has a molecular weight of 275.58 g/mol, XLogP of 3.31, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-chloro-2-[(2R)-piperidin-2-yl]pyridine is sourced from PubChem (CID 130713607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).