3-bromo-2-(3-bromopyrrolidin-1-yl)-5-methylpyridine

C10H12Br2N2 — CID 105368742

IUPAC3-bromo-2-(3-bromopyrrolidin-1-yl)-5-methylpyridine
SMILESCc1cnc(N2CCC(Br)C2)c(Br)c1
InChIInChI=1S/C10H12Br2N2/c1-7-4-9(12)10(13-5-7)14-3-2-8(11)6-14/h4-5,8H,2-3,6H2,1H3
InChIKeyKSTVDJOAUDQHHR-UHFFFAOYSA-N
MW320.03 g/mol
LogP3.13
Rot. Bonds1

About 3-bromo-2-(3-bromopyrrolidin-1-yl)-5-methylpyridine

3-bromo-2-(3-bromopyrrolidin-1-yl)-5-methylpyridine (PubChem CID 105368742) has the molecular formula C10H12Br2N2 and a molecular weight of 320.03 g/mol. Its IUPAC name is 3-bromo-2-(3-bromopyrrolidin-1-yl)-5-methylpyridine.

Molecular Properties

Compound Name3-bromo-2-(3-bromopyrrolidin-1-yl)-5-methylpyridine
PubChem CID105368742
Molecular FormulaC10H12Br2N2
Molecular Weight320.03 g/mol
Exact Mass317.94
IUPAC Name3-bromo-2-(3-bromopyrrolidin-1-yl)-5-methylpyridine
SMILESCc1cnc(N2CCC(Br)C2)c(Br)c1
InChIInChI=1S/C10H12Br2N2/c1-7-4-9(12)10(13-5-7)14-3-2-8(11)6-14/h4-5,8H,2-3,6H2,1H3
InChIKeyKSTVDJOAUDQHHR-UHFFFAOYSA-N
XLogP3.13
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.03
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-(3-bromopyrrolidin-1-yl)-5-methylpyridine?
The IUPAC name of 3-bromo-2-(3-bromopyrrolidin-1-yl)-5-methylpyridine (CID 105368742) is 3-bromo-2-(3-bromopyrrolidin-1-yl)-5-methylpyridine.
What is the SMILES notation for 3-bromo-2-(3-bromopyrrolidin-1-yl)-5-methylpyridine?
The canonical SMILES for 3-bromo-2-(3-bromopyrrolidin-1-yl)-5-methylpyridine is Cc1cnc(N2CCC(Br)C2)c(Br)c1.
What is the InChIKey of 3-bromo-2-(3-bromopyrrolidin-1-yl)-5-methylpyridine?
The InChIKey is KSTVDJOAUDQHHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Br2N2/c1-7-4-9(12)10(13-5-7)14-3-2-8(11)6-14/h4-5,8H,2-3,6H2,1H3.
What are the key properties of 3-bromo-2-(3-bromopyrrolidin-1-yl)-5-methylpyridine?
3-bromo-2-(3-bromopyrrolidin-1-yl)-5-methylpyridine has a molecular weight of 320.03 g/mol, XLogP of 3.13, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-(3-bromopyrrolidin-1-yl)-5-methylpyridine is sourced from PubChem (CID 105368742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).