2-(3-bromopiperidin-1-yl)-3-chloropyridine

C10H12BrClN2 — CID 80672727

IUPAC2-(3-bromopiperidin-1-yl)-3-chloropyridine
SMILESClc1cccnc1N1CCCC(Br)C1
InChIInChI=1S/C10H12BrClN2/c11-8-3-2-6-14(7-8)10-9(12)4-1-5-13-10/h1,4-5,8H,2-3,6-7H2
InChIKeyJKTLVXFJQOINBV-UHFFFAOYSA-N
MW275.58 g/mol
LogP3.10
Rot. Bonds1

About 2-(3-bromopiperidin-1-yl)-3-chloropyridine

2-(3-bromopiperidin-1-yl)-3-chloropyridine (PubChem CID 80672727) has the molecular formula C10H12BrClN2 and a molecular weight of 275.58 g/mol. Its IUPAC name is 2-(3-bromopiperidin-1-yl)-3-chloropyridine.

Molecular Properties

Compound Name2-(3-bromopiperidin-1-yl)-3-chloropyridine
PubChem CID80672727
Molecular FormulaC10H12BrClN2
Molecular Weight275.58 g/mol
Exact Mass273.99
IUPAC Name2-(3-bromopiperidin-1-yl)-3-chloropyridine
SMILESClc1cccnc1N1CCCC(Br)C1
InChIInChI=1S/C10H12BrClN2/c11-8-3-2-6-14(7-8)10-9(12)4-1-5-13-10/h1,4-5,8H,2-3,6-7H2
InChIKeyJKTLVXFJQOINBV-UHFFFAOYSA-N
XLogP3.10
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.58
LogP ≤ 53.10
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

2-(3-bromopyrrolidin-1-yl)-3-fluoropyridine
CID 80666888
4-(3-chloro-2-pyridinyl)-1,2-dimethylpiperazine
CID 71195511
1-(3-chloro-2-pyridinyl)piperidin-4-amine;hydrochloride
CID 69359259
3-chloro-2-(3-methylazetidin-1-yl)pyridine
CID 103094608
2-(3-chloropiperidin-1-yl)-3-methylpyridine
CID 63392389
3-bromo-2-pyrrolidin-1-ylpyridine
CID 46739525
N-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]benzamide
CID 166217661
N-(2-chlorophenyl)-N-[2-[1-(3-chloro-2-pyridinyl)piperidin-3-yl]ethyl]formamide
CID 143229668
3-chloro-2-(4-pyrrolidin-2-ylpiperidin-1-yl)pyridine
CID 63257582
2-[4-(2-bromoethoxy)piperidin-1-yl]-3-chloropyridine
CID 82701521
2-(3-aminopiperidin-1-yl)pyridine-3-carboxylic acid
CID 61403945
2-(3-methylpiperidin-1-yl)pyridine-3-carbaldehyde
CID 102568303

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromopiperidin-1-yl)-3-chloropyridine?
The IUPAC name of 2-(3-bromopiperidin-1-yl)-3-chloropyridine (CID 80672727) is 2-(3-bromopiperidin-1-yl)-3-chloropyridine.
What is the SMILES notation for 2-(3-bromopiperidin-1-yl)-3-chloropyridine?
The canonical SMILES for 2-(3-bromopiperidin-1-yl)-3-chloropyridine is Clc1cccnc1N1CCCC(Br)C1.
What is the InChIKey of 2-(3-bromopiperidin-1-yl)-3-chloropyridine?
The InChIKey is JKTLVXFJQOINBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrClN2/c11-8-3-2-6-14(7-8)10-9(12)4-1-5-13-10/h1,4-5,8H,2-3,6-7H2.
What are the key properties of 2-(3-bromopiperidin-1-yl)-3-chloropyridine?
2-(3-bromopiperidin-1-yl)-3-chloropyridine has a molecular weight of 275.58 g/mol, XLogP of 3.10, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromopiperidin-1-yl)-3-chloropyridine is sourced from PubChem (CID 80672727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).