3-bromo-5-pyrrolidin-1-ylpyridine;3,5-dibromopyridine;pyrrolidine

C18H23Br3N4 — CID 160523140

IUPAC3-bromo-5-pyrrolidin-1-ylpyridine;3,5-dibromopyridine;pyrrolidine
SMILESBrc1cncc(Br)c1.Brc1cncc(N2CCCC2)c1.C1CCNC1
InChIInChI=1S/C9H11BrN2.C5H3Br2N.C4H9N/c10-8-5-9(7-11-6-8)12-3-1-2-4-12;6-4-1-5(7)3-8-2-4;1-2-4-5-3-1/h5-7H,1-4H2;1-3H;5H,1-4H2
InChIKeyQUNSNIWCLHMXOE-UHFFFAOYSA-N
MW535.12 g/mol
LogP5.42
Rot. Bonds1

About 3-bromo-5-pyrrolidin-1-ylpyridine;3,5-dibromopyridine;pyrrolidine

3-bromo-5-pyrrolidin-1-ylpyridine;3,5-dibromopyridine;pyrrolidine (PubChem CID 160523140) has the molecular formula C18H23Br3N4 and a molecular weight of 535.12 g/mol. Its IUPAC name is 3-bromo-5-pyrrolidin-1-ylpyridine;3,5-dibromopyridine;pyrrolidine.

Molecular Properties

Compound Name3-bromo-5-pyrrolidin-1-ylpyridine;3,5-dibromopyridine;pyrrolidine
PubChem CID160523140
Molecular FormulaC18H23Br3N4
Molecular Weight535.12 g/mol
Exact Mass531.95
IUPAC Name3-bromo-5-pyrrolidin-1-ylpyridine;3,5-dibromopyridine;pyrrolidine
SMILESBrc1cncc(Br)c1.Brc1cncc(N2CCCC2)c1.C1CCNC1
InChIInChI=1S/C9H11BrN2.C5H3Br2N.C4H9N/c10-8-5-9(7-11-6-8)12-3-1-2-4-12;6-4-1-5(7)3-8-2-4;1-2-4-5-3-1/h5-7H,1-4H2;1-3H;5H,1-4H2
InChIKeyQUNSNIWCLHMXOE-UHFFFAOYSA-N
XLogP5.42
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.12
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 10559695
1-(5-bromo-3-pyridinyl)-4-(4-chlorophenyl)piperazine
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1-(5-bromo-3-pyridinyl)piperidin-4-amine
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1-(5-bromo-3-pyridinyl)-4-cyclopentylpiperazine
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2-[4-(5-bromo-3-pyridinyl)piperazin-1-yl]pyrimidine
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CID 114223219
[1-(5-bromo-3-pyridinyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 75374152
1-(5-bromo-3-pyridinyl)-4-propylpiperazine
CID 115657003
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5-pyrrolidin-1-ylpyridin-3-ol
CID 66521166

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-pyrrolidin-1-ylpyridine;3,5-dibromopyridine;pyrrolidine?
The IUPAC name of 3-bromo-5-pyrrolidin-1-ylpyridine;3,5-dibromopyridine;pyrrolidine (CID 160523140) is 3-bromo-5-pyrrolidin-1-ylpyridine;3,5-dibromopyridine;pyrrolidine.
What is the SMILES notation for 3-bromo-5-pyrrolidin-1-ylpyridine;3,5-dibromopyridine;pyrrolidine?
The canonical SMILES for 3-bromo-5-pyrrolidin-1-ylpyridine;3,5-dibromopyridine;pyrrolidine is Brc1cncc(Br)c1.Brc1cncc(N2CCCC2)c1.C1CCNC1.
What is the InChIKey of 3-bromo-5-pyrrolidin-1-ylpyridine;3,5-dibromopyridine;pyrrolidine?
The InChIKey is QUNSNIWCLHMXOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2.C5H3Br2N.C4H9N/c10-8-5-9(7-11-6-8)12-3-1-2-4-12;6-4-1-5(7)3-8-2-4;1-2-4-5-3-1/h5-7H,1-4H2;1-3H;5H,1-4H2.
What are the key properties of 3-bromo-5-pyrrolidin-1-ylpyridine;3,5-dibromopyridine;pyrrolidine?
3-bromo-5-pyrrolidin-1-ylpyridine;3,5-dibromopyridine;pyrrolidine has a molecular weight of 535.12 g/mol, XLogP of 5.42, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-pyrrolidin-1-ylpyridine;3,5-dibromopyridine;pyrrolidine is sourced from PubChem (CID 160523140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).