3-bromo-2-[(4-chloropiperidin-1-yl)methyl]pyridine

C11H14BrClN2 — CID 130576197

IUPAC3-bromo-2-[(4-chloropiperidin-1-yl)methyl]pyridine
SMILESClC1CCN(Cc2ncccc2Br)CC1
InChIInChI=1S/C11H14BrClN2/c12-10-2-1-5-14-11(10)8-15-6-3-9(13)4-7-15/h1-2,5,9H,3-4,6-8H2
InChIKeyDIVXAHRPVBYTOG-UHFFFAOYSA-N
MW289.60 g/mol
LogP3.05
Rot. Bonds2

About 3-bromo-2-[(4-chloropiperidin-1-yl)methyl]pyridine

3-bromo-2-[(4-chloropiperidin-1-yl)methyl]pyridine (PubChem CID 130576197) has the molecular formula C11H14BrClN2 and a molecular weight of 289.60 g/mol. Its IUPAC name is 3-bromo-2-[(4-chloropiperidin-1-yl)methyl]pyridine.

Molecular Properties

Compound Name3-bromo-2-[(4-chloropiperidin-1-yl)methyl]pyridine
PubChem CID130576197
Molecular FormulaC11H14BrClN2
Molecular Weight289.60 g/mol
Exact Mass288.00
IUPAC Name3-bromo-2-[(4-chloropiperidin-1-yl)methyl]pyridine
SMILESClC1CCN(Cc2ncccc2Br)CC1
InChIInChI=1S/C11H14BrClN2/c12-10-2-1-5-14-11(10)8-15-6-3-9(13)4-7-15/h1-2,5,9H,3-4,6-8H2
InChIKeyDIVXAHRPVBYTOG-UHFFFAOYSA-N
XLogP3.05
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.60
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(3R)-1-[(3-bromo-2-pyridinyl)methyl]pyrrolidin-3-ol
CID 130576098
3-bromo-2-[(3-methylsulfanylpyrrolidin-1-yl)methyl]pyridine
CID 130757500
3-bromo-2-(2-pyrrolidin-1-ylethyl)pyridine
CID 83919940
1-[(3-bromo-2-pyridinyl)methyl]-4-methylpyrrolidin-3-ol
CID 130979733
2-[[4-(chloromethyl)piperidin-1-yl]methyl]-3-methylpyridine
CID 112651337
1-[(3-bromo-2-pyridinyl)methyl]-5-methylpyrrolidin-2-one
CID 130598530
ethyl 1-[(3-methyl-2-pyridinyl)methyl]piperidine-4-carboxylate
CID 10106780
4-[3-(3-bromo-2-pyridinyl)propyl]morpholine
CID 170871440
4-(3-bromo-2-pyridinyl)butan-2-one
CID 130575763
cyclopropyl-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methanone
CID 171326322
methyl 2-[(4-methylazepan-1-yl)methyl]pyridine-3-carboxylate
CID 114198518
2-[(3-methylpyrrolidin-1-yl)methyl]pyridin-3-amine
CID 104739860

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-[(4-chloropiperidin-1-yl)methyl]pyridine?
The IUPAC name of 3-bromo-2-[(4-chloropiperidin-1-yl)methyl]pyridine (CID 130576197) is 3-bromo-2-[(4-chloropiperidin-1-yl)methyl]pyridine.
What is the SMILES notation for 3-bromo-2-[(4-chloropiperidin-1-yl)methyl]pyridine?
The canonical SMILES for 3-bromo-2-[(4-chloropiperidin-1-yl)methyl]pyridine is ClC1CCN(Cc2ncccc2Br)CC1.
What is the InChIKey of 3-bromo-2-[(4-chloropiperidin-1-yl)methyl]pyridine?
The InChIKey is DIVXAHRPVBYTOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrClN2/c12-10-2-1-5-14-11(10)8-15-6-3-9(13)4-7-15/h1-2,5,9H,3-4,6-8H2.
What are the key properties of 3-bromo-2-[(4-chloropiperidin-1-yl)methyl]pyridine?
3-bromo-2-[(4-chloropiperidin-1-yl)methyl]pyridine has a molecular weight of 289.60 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-[(4-chloropiperidin-1-yl)methyl]pyridine is sourced from PubChem (CID 130576197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).