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

C10H12BrClN2 — CID 63389740

IUPAC3-bromo-2-[2-(chloromethyl)pyrrolidin-1-yl]pyridine
SMILESClCC1CCCN1c1ncccc1Br
InChIInChI=1S/C10H12BrClN2/c11-9-4-1-5-13-10(9)14-6-2-3-8(14)7-12/h1,4-5,8H,2-3,6-7H2
InChIKeyDDKKQVJBEYZJLM-UHFFFAOYSA-N
MW275.58 g/mol
LogP3.05
Rot. Bonds2

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

3-bromo-2-[2-(chloromethyl)pyrrolidin-1-yl]pyridine (PubChem CID 63389740) has the molecular formula C10H12BrClN2 and a molecular weight of 275.58 g/mol. Its IUPAC name is 3-bromo-2-[2-(chloromethyl)pyrrolidin-1-yl]pyridine.

Molecular Properties

Compound Name3-bromo-2-[2-(chloromethyl)pyrrolidin-1-yl]pyridine
PubChem CID63389740
Molecular FormulaC10H12BrClN2
Molecular Weight275.58 g/mol
Exact Mass273.99
IUPAC Name3-bromo-2-[2-(chloromethyl)pyrrolidin-1-yl]pyridine
SMILESClCC1CCCN1c1ncccc1Br
InChIInChI=1S/C10H12BrClN2/c11-9-4-1-5-13-10(9)14-6-2-3-8(14)7-12/h1,4-5,8H,2-3,6-7H2
InChIKeyDDKKQVJBEYZJLM-UHFFFAOYSA-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-2-[2-(methylsulfanylmethyl)pyrrolidin-1-yl]pyridine
CID 130855842
3-bromo-2-[2-(2-bromoethyl)piperidin-1-yl]pyridine
CID 80662154
3-bromo-2-(2-methylpyrrolidin-1-yl)pyridine
CID 61373542
2-(chloromethyl)-1-(3,5-dibromo-2-pyridinyl)azepane
CID 116638871
1-(5-bromopyrimidin-4-yl)-2-(chloromethyl)azepane
CID 116638846
3-bromo-2-pyrrolidin-1-ylpyridine
CID 46739525
6-[2-(chloromethyl)pyrrolidin-1-yl]-2,3-dihydro-[1,4]dioxino[2,3-g]isoquinoline
CID 106542592
[1-[3-(hydroxymethyl)-2-pyridinyl]pyrrolidin-2-yl]methanol
CID 61411243
1-(3-bromo-2-pyridinyl)-2-ethylpiperazine
CID 63600954
[1-(3-chloro-2-pyridinyl)azepan-2-yl]methanamine
CID 116640243
5-bromo-2-[2-(chloromethyl)piperidin-1-yl]pyrimidine
CID 63873826
[2-(2-ethylpyrrolidin-1-yl)-3-pyridinyl]methanol
CID 61254159

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-[2-(chloromethyl)pyrrolidin-1-yl]pyridine?
The IUPAC name of 3-bromo-2-[2-(chloromethyl)pyrrolidin-1-yl]pyridine (CID 63389740) is 3-bromo-2-[2-(chloromethyl)pyrrolidin-1-yl]pyridine.
What is the SMILES notation for 3-bromo-2-[2-(chloromethyl)pyrrolidin-1-yl]pyridine?
The canonical SMILES for 3-bromo-2-[2-(chloromethyl)pyrrolidin-1-yl]pyridine is ClCC1CCCN1c1ncccc1Br.
What is the InChIKey of 3-bromo-2-[2-(chloromethyl)pyrrolidin-1-yl]pyridine?
The InChIKey is DDKKQVJBEYZJLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrClN2/c11-9-4-1-5-13-10(9)14-6-2-3-8(14)7-12/h1,4-5,8H,2-3,6-7H2.
What are the key properties of 3-bromo-2-[2-(chloromethyl)pyrrolidin-1-yl]pyridine?
3-bromo-2-[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-2-[2-(chloromethyl)pyrrolidin-1-yl]pyridine is sourced from PubChem (CID 63389740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).