5-bromo-2-[(3,3-dimethylpyrrolidin-1-yl)methyl]pyridine

C12H17BrN2 — CID 115666089

IUPAC5-bromo-2-[(3,3-dimethylpyrrolidin-1-yl)methyl]pyridine
SMILESCC1(C)CCN(Cc2ccc(Br)cn2)C1
InChIInChI=1S/C12H17BrN2/c1-12(2)5-6-15(9-12)8-11-4-3-10(13)7-14-11/h3-4,7H,5-6,8-9H2,1-2H3
InChIKeyHYRPSAJAVQCXRO-UHFFFAOYSA-N
MW269.19 g/mol
LogP3.08
Rot. Bonds2

About 5-bromo-2-[(3,3-dimethylpyrrolidin-1-yl)methyl]pyridine

5-bromo-2-[(3,3-dimethylpyrrolidin-1-yl)methyl]pyridine (PubChem CID 115666089) has the molecular formula C12H17BrN2 and a molecular weight of 269.19 g/mol. Its IUPAC name is 5-bromo-2-[(3,3-dimethylpyrrolidin-1-yl)methyl]pyridine.

Molecular Properties

Compound Name5-bromo-2-[(3,3-dimethylpyrrolidin-1-yl)methyl]pyridine
PubChem CID115666089
Molecular FormulaC12H17BrN2
Molecular Weight269.19 g/mol
Exact Mass268.06
IUPAC Name5-bromo-2-[(3,3-dimethylpyrrolidin-1-yl)methyl]pyridine
SMILESCC1(C)CCN(Cc2ccc(Br)cn2)C1
InChIInChI=1S/C12H17BrN2/c1-12(2)5-6-15(9-12)8-11-4-3-10(13)7-14-11/h3-4,7H,5-6,8-9H2,1-2H3
InChIKeyHYRPSAJAVQCXRO-UHFFFAOYSA-N
XLogP3.08
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.19
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(3,3-dimethylpyrrolidin-1-yl)methyl]pyridine?
The IUPAC name of 5-bromo-2-[(3,3-dimethylpyrrolidin-1-yl)methyl]pyridine (CID 115666089) is 5-bromo-2-[(3,3-dimethylpyrrolidin-1-yl)methyl]pyridine.
What is the SMILES notation for 5-bromo-2-[(3,3-dimethylpyrrolidin-1-yl)methyl]pyridine?
The canonical SMILES for 5-bromo-2-[(3,3-dimethylpyrrolidin-1-yl)methyl]pyridine is CC1(C)CCN(Cc2ccc(Br)cn2)C1.
What is the InChIKey of 5-bromo-2-[(3,3-dimethylpyrrolidin-1-yl)methyl]pyridine?
The InChIKey is HYRPSAJAVQCXRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2/c1-12(2)5-6-15(9-12)8-11-4-3-10(13)7-14-11/h3-4,7H,5-6,8-9H2,1-2H3.
What are the key properties of 5-bromo-2-[(3,3-dimethylpyrrolidin-1-yl)methyl]pyridine?
5-bromo-2-[(3,3-dimethylpyrrolidin-1-yl)methyl]pyridine has a molecular weight of 269.19 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(3,3-dimethylpyrrolidin-1-yl)methyl]pyridine is sourced from PubChem (CID 115666089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).