5-bromo-3-methyl-2-[phenyl(pyrrolidin-3-yl)methoxy]pyridine

C17H19BrN2O — CID 77226165

IUPAC5-bromo-3-methyl-2-[phenyl(pyrrolidin-3-yl)methoxy]pyridine
SMILESCc1cc(Br)cnc1OC(c1ccccc1)C1CCNC1
InChIInChI=1S/C17H19BrN2O/c1-12-9-15(18)11-20-17(12)21-16(14-7-8-19-10-14)13-5-3-2-4-6-13/h2-6,9,11,14,16,19H,7-8,10H2,1H3
InChIKeySZQMUZLQXSFWGJ-UHFFFAOYSA-N
MW347.26 g/mol
LogP3.88
Rot. Bonds4

About 5-bromo-3-methyl-2-[phenyl(pyrrolidin-3-yl)methoxy]pyridine

5-bromo-3-methyl-2-[phenyl(pyrrolidin-3-yl)methoxy]pyridine (PubChem CID 77226165) has the molecular formula C17H19BrN2O and a molecular weight of 347.26 g/mol. Its IUPAC name is 5-bromo-3-methyl-2-[phenyl(pyrrolidin-3-yl)methoxy]pyridine.

Molecular Properties

Compound Name5-bromo-3-methyl-2-[phenyl(pyrrolidin-3-yl)methoxy]pyridine
PubChem CID77226165
Molecular FormulaC17H19BrN2O
Molecular Weight347.26 g/mol
Exact Mass346.07
IUPAC Name5-bromo-3-methyl-2-[phenyl(pyrrolidin-3-yl)methoxy]pyridine
SMILESCc1cc(Br)cnc1OC(c1ccccc1)C1CCNC1
InChIInChI=1S/C17H19BrN2O/c1-12-9-15(18)11-20-17(12)21-16(14-7-8-19-10-14)13-5-3-2-4-6-13/h2-6,9,11,14,16,19H,7-8,10H2,1H3
InChIKeySZQMUZLQXSFWGJ-UHFFFAOYSA-N
XLogP3.88
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.26
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-methyl-2-[phenyl(pyrrolidin-3-yl)methoxy]pyridine?
The IUPAC name of 5-bromo-3-methyl-2-[phenyl(pyrrolidin-3-yl)methoxy]pyridine (CID 77226165) is 5-bromo-3-methyl-2-[phenyl(pyrrolidin-3-yl)methoxy]pyridine.
What is the SMILES notation for 5-bromo-3-methyl-2-[phenyl(pyrrolidin-3-yl)methoxy]pyridine?
The canonical SMILES for 5-bromo-3-methyl-2-[phenyl(pyrrolidin-3-yl)methoxy]pyridine is Cc1cc(Br)cnc1OC(c1ccccc1)C1CCNC1.
What is the InChIKey of 5-bromo-3-methyl-2-[phenyl(pyrrolidin-3-yl)methoxy]pyridine?
The InChIKey is SZQMUZLQXSFWGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O/c1-12-9-15(18)11-20-17(12)21-16(14-7-8-19-10-14)13-5-3-2-4-6-13/h2-6,9,11,14,16,19H,7-8,10H2,1H3.
What are the key properties of 5-bromo-3-methyl-2-[phenyl(pyrrolidin-3-yl)methoxy]pyridine?
5-bromo-3-methyl-2-[phenyl(pyrrolidin-3-yl)methoxy]pyridine has a molecular weight of 347.26 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-methyl-2-[phenyl(pyrrolidin-3-yl)methoxy]pyridine is sourced from PubChem (CID 77226165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).