3-bromo-5-[(2S)-2-(chloromethyl)pyrrolidin-1-yl]pyridine

C10H12BrClN2 — CID 86679113

IUPAC3-bromo-5-[(2S)-2-(chloromethyl)pyrrolidin-1-yl]pyridine
SMILESClC[C@@H]1CCCN1c1cncc(Br)c1
InChIInChI=1S/C10H12BrClN2/c11-8-4-10(7-13-6-8)14-3-1-2-9(14)5-12/h4,6-7,9H,1-3,5H2/t9-/m0/s1
InChIKeyCYQCTZPGDXFYOM-VIFPVBQESA-N
MW275.58 g/mol
LogP3.05
Rot. Bonds2

About 3-bromo-5-[(2S)-2-(chloromethyl)pyrrolidin-1-yl]pyridine

3-bromo-5-[(2S)-2-(chloromethyl)pyrrolidin-1-yl]pyridine (PubChem CID 86679113) has the molecular formula C10H12BrClN2 and a molecular weight of 275.58 g/mol. Its IUPAC name is 3-bromo-5-[(2S)-2-(chloromethyl)pyrrolidin-1-yl]pyridine.

Molecular Properties

Compound Name3-bromo-5-[(2S)-2-(chloromethyl)pyrrolidin-1-yl]pyridine
PubChem CID86679113
Molecular FormulaC10H12BrClN2
Molecular Weight275.58 g/mol
Exact Mass273.99
IUPAC Name3-bromo-5-[(2S)-2-(chloromethyl)pyrrolidin-1-yl]pyridine
SMILESClC[C@@H]1CCCN1c1cncc(Br)c1
InChIInChI=1S/C10H12BrClN2/c11-8-4-10(7-13-6-8)14-3-1-2-9(14)5-12/h4,6-7,9H,1-3,5H2/t9-/m0/s1
InChIKeyCYQCTZPGDXFYOM-VIFPVBQESA-N
XLogP3.05
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.58
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

3-bromo-5-(2-ethylpyrrolidin-1-yl)pyridine
CID 104531587
[1-(5-bromo-3-pyridinyl)pyrrolidin-2-yl]methanol
CID 89439842
2-(chloromethyl)-1-(3,5-dibromo-2-pyridinyl)azepane
CID 116638871
(2R)-1-(5-bromo-3-pyridinyl)-N-cyclopropylpyrrolidine-2-carboxamide
CID 99636699
5-bromo-2-[2-(chloromethyl)piperidin-1-yl]pyrimidine
CID 63873826
3-bromo-5-[2-(chloromethyl)piperidin-1-yl]sulfonylpyridine
CID 63397000
2-(5-bromo-3-pyridinyl)-3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 104531854
6-[5-[(2S)-2-(chloromethyl)pyrrolidin-1-yl]-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 86679152
3-bromo-2-[2-(chloromethyl)pyrrolidin-1-yl]pyridine
CID 63389740
1-(5-bromo-3-pyridinyl)piperidin-4-amine
CID 70343493
[(2R)-1-pyrimidin-5-ylpyrrolidin-2-yl]methanamine
CID 131071995
2-(5-bromo-3-pyridinyl)-2-azabicyclo[2.2.1]heptane
CID 71996709

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-[(2S)-2-(chloromethyl)pyrrolidin-1-yl]pyridine?
The IUPAC name of 3-bromo-5-[(2S)-2-(chloromethyl)pyrrolidin-1-yl]pyridine (CID 86679113) is 3-bromo-5-[(2S)-2-(chloromethyl)pyrrolidin-1-yl]pyridine.
What is the SMILES notation for 3-bromo-5-[(2S)-2-(chloromethyl)pyrrolidin-1-yl]pyridine?
The canonical SMILES for 3-bromo-5-[(2S)-2-(chloromethyl)pyrrolidin-1-yl]pyridine is ClC[C@@H]1CCCN1c1cncc(Br)c1.
What is the InChIKey of 3-bromo-5-[(2S)-2-(chloromethyl)pyrrolidin-1-yl]pyridine?
The InChIKey is CYQCTZPGDXFYOM-VIFPVBQESA-N. The full InChI is InChI=1S/C10H12BrClN2/c11-8-4-10(7-13-6-8)14-3-1-2-9(14)5-12/h4,6-7,9H,1-3,5H2/t9-/m0/s1.
What are the key properties of 3-bromo-5-[(2S)-2-(chloromethyl)pyrrolidin-1-yl]pyridine?
3-bromo-5-[(2S)-2-(chloromethyl)pyrrolidin-1-yl]pyridine has a molecular weight of 275.58 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-5-[(2S)-2-(chloromethyl)pyrrolidin-1-yl]pyridine is sourced from PubChem (CID 86679113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).