2-bromo-5-[[(3S)-piperidin-3-yl]methyl]pyridine

C11H15BrN2 — CID 130804072

IUPAC2-bromo-5-[[(3S)-piperidin-3-yl]methyl]pyridine
SMILESBrc1ccc(C[C@@H]2CCCNC2)cn1
InChIInChI=1S/C11H15BrN2/c12-11-4-3-10(8-14-11)6-9-2-1-5-13-7-9/h3-4,8-9,13H,1-2,5-7H2/t9-/m0/s1
InChIKeyFWVMGLVNCXBVDZ-VIFPVBQESA-N
MW255.16 g/mol
LogP2.39
Rot. Bonds2

About 2-bromo-5-[[(3S)-piperidin-3-yl]methyl]pyridine

2-bromo-5-[[(3S)-piperidin-3-yl]methyl]pyridine (PubChem CID 130804072) has the molecular formula C11H15BrN2 and a molecular weight of 255.16 g/mol. Its IUPAC name is 2-bromo-5-[[(3S)-piperidin-3-yl]methyl]pyridine.

Molecular Properties

Compound Name2-bromo-5-[[(3S)-piperidin-3-yl]methyl]pyridine
PubChem CID130804072
Molecular FormulaC11H15BrN2
Molecular Weight255.16 g/mol
Exact Mass254.04
IUPAC Name2-bromo-5-[[(3S)-piperidin-3-yl]methyl]pyridine
SMILESBrc1ccc(C[C@@H]2CCCNC2)cn1
InChIInChI=1S/C11H15BrN2/c12-11-4-3-10(8-14-11)6-9-2-1-5-13-7-9/h3-4,8-9,13H,1-2,5-7H2/t9-/m0/s1
InChIKeyFWVMGLVNCXBVDZ-VIFPVBQESA-N
XLogP2.39
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.16
LogP ≤ 52.39
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

N-[(6-bromo-3-pyridinyl)methyl]piperidin-3-amine
CID 71636466
(3S)-N-[(6-bromo-3-pyridinyl)methyl]piperidin-3-amine;hydrochloride
CID 71636461
(3S)-N-[(6-bromo-3-pyridinyl)methyl]-N-methylpiperidin-3-amine
CID 71641689
8-bromo-3-(piperidin-3-ylmethyl)quinoline
CID 84644812
3-bromo-5-(piperidin-3-ylmethyl)pyridine
CID 104811408
2-(2-methylpyrazol-3-yl)-5-(piperidin-3-ylmethyl)pyridine
CID 110102100
N-(2-methoxyethyl)-5-[[(3R)-piperidin-3-yl]methyl]pyridin-2-amine
CID 95846447
3-[4-(piperidin-3-ylmethyl)phenyl]piperidine
CID 116988274
3-[(3-bromo-4-cyclopropylphenyl)methyl]piperidine
CID 84815306
4-[[(3R)-piperidin-3-yl]methyl]benzonitrile
CID 93078230
4-(piperidin-3-ylmethyl)benzonitrile
CID 45074435
3-[(4-cyclobutylphenyl)methyl]piperidine
CID 84793090

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[[(3S)-piperidin-3-yl]methyl]pyridine?
The IUPAC name of 2-bromo-5-[[(3S)-piperidin-3-yl]methyl]pyridine (CID 130804072) is 2-bromo-5-[[(3S)-piperidin-3-yl]methyl]pyridine.
What is the SMILES notation for 2-bromo-5-[[(3S)-piperidin-3-yl]methyl]pyridine?
The canonical SMILES for 2-bromo-5-[[(3S)-piperidin-3-yl]methyl]pyridine is Brc1ccc(C[C@@H]2CCCNC2)cn1.
What is the InChIKey of 2-bromo-5-[[(3S)-piperidin-3-yl]methyl]pyridine?
The InChIKey is FWVMGLVNCXBVDZ-VIFPVBQESA-N. The full InChI is InChI=1S/C11H15BrN2/c12-11-4-3-10(8-14-11)6-9-2-1-5-13-7-9/h3-4,8-9,13H,1-2,5-7H2/t9-/m0/s1.
What are the key properties of 2-bromo-5-[[(3S)-piperidin-3-yl]methyl]pyridine?
2-bromo-5-[[(3S)-piperidin-3-yl]methyl]pyridine has a molecular weight of 255.16 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-[[(3S)-piperidin-3-yl]methyl]pyridine is sourced from PubChem (CID 130804072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).