3-bromo-5-[(2-propan-2-ylpyrrolidin-1-yl)methyl]pyridine

C13H19BrN2 — CID 115593313

IUPAC3-bromo-5-[(2-propan-2-ylpyrrolidin-1-yl)methyl]pyridine
SMILESCC(C)C1CCCN1Cc1cncc(Br)c1
InChIInChI=1S/C13H19BrN2/c1-10(2)13-4-3-5-16(13)9-11-6-12(14)8-15-7-11/h6-8,10,13H,3-5,9H2,1-2H3
InChIKeyDSIZARXZWUWLSF-UHFFFAOYSA-N
MW283.21 g/mol
LogP3.46
Rot. Bonds3

About 3-bromo-5-[(2-propan-2-ylpyrrolidin-1-yl)methyl]pyridine

3-bromo-5-[(2-propan-2-ylpyrrolidin-1-yl)methyl]pyridine (PubChem CID 115593313) has the molecular formula C13H19BrN2 and a molecular weight of 283.21 g/mol. Its IUPAC name is 3-bromo-5-[(2-propan-2-ylpyrrolidin-1-yl)methyl]pyridine.

Molecular Properties

Compound Name3-bromo-5-[(2-propan-2-ylpyrrolidin-1-yl)methyl]pyridine
PubChem CID115593313
Molecular FormulaC13H19BrN2
Molecular Weight283.21 g/mol
Exact Mass282.07
IUPAC Name3-bromo-5-[(2-propan-2-ylpyrrolidin-1-yl)methyl]pyridine
SMILESCC(C)C1CCCN1Cc1cncc(Br)c1
InChIInChI=1S/C13H19BrN2/c1-10(2)13-4-3-5-16(13)9-11-6-12(14)8-15-7-11/h6-8,10,13H,3-5,9H2,1-2H3
InChIKeyDSIZARXZWUWLSF-UHFFFAOYSA-N
XLogP3.46
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.21
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-[(2-propan-2-ylpyrrolidin-1-yl)methyl]pyridine?
The IUPAC name of 3-bromo-5-[(2-propan-2-ylpyrrolidin-1-yl)methyl]pyridine (CID 115593313) is 3-bromo-5-[(2-propan-2-ylpyrrolidin-1-yl)methyl]pyridine.
What is the SMILES notation for 3-bromo-5-[(2-propan-2-ylpyrrolidin-1-yl)methyl]pyridine?
The canonical SMILES for 3-bromo-5-[(2-propan-2-ylpyrrolidin-1-yl)methyl]pyridine is CC(C)C1CCCN1Cc1cncc(Br)c1.
What is the InChIKey of 3-bromo-5-[(2-propan-2-ylpyrrolidin-1-yl)methyl]pyridine?
The InChIKey is DSIZARXZWUWLSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2/c1-10(2)13-4-3-5-16(13)9-11-6-12(14)8-15-7-11/h6-8,10,13H,3-5,9H2,1-2H3.
What are the key properties of 3-bromo-5-[(2-propan-2-ylpyrrolidin-1-yl)methyl]pyridine?
3-bromo-5-[(2-propan-2-ylpyrrolidin-1-yl)methyl]pyridine has a molecular weight of 283.21 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-[(2-propan-2-ylpyrrolidin-1-yl)methyl]pyridine is sourced from PubChem (CID 115593313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).