5-bromo-2-(3-pyrrolidin-1-ylpropyl)pyridine

C12H17BrN2 — CID 58234518

IUPAC5-bromo-2-(3-pyrrolidin-1-ylpropyl)pyridine
SMILESBrc1ccc(CCCN2CCCC2)nc1
InChIInChI=1S/C12H17BrN2/c13-11-5-6-12(14-10-11)4-3-9-15-7-1-2-8-15/h5-6,10H,1-4,7-9H2
InChIKeySYZBLWARQJTNGJ-UHFFFAOYSA-N
MW269.19 g/mol
LogP2.87
Rot. Bonds4

About 5-bromo-2-(3-pyrrolidin-1-ylpropyl)pyridine

5-bromo-2-(3-pyrrolidin-1-ylpropyl)pyridine (PubChem CID 58234518) has the molecular formula C12H17BrN2 and a molecular weight of 269.19 g/mol. Its IUPAC name is 5-bromo-2-(3-pyrrolidin-1-ylpropyl)pyridine.

Molecular Properties

Compound Name5-bromo-2-(3-pyrrolidin-1-ylpropyl)pyridine
PubChem CID58234518
Molecular FormulaC12H17BrN2
Molecular Weight269.19 g/mol
Exact Mass268.06
IUPAC Name5-bromo-2-(3-pyrrolidin-1-ylpropyl)pyridine
SMILESBrc1ccc(CCCN2CCCC2)nc1
InChIInChI=1S/C12H17BrN2/c13-11-5-6-12(14-10-11)4-3-9-15-7-1-2-8-15/h5-6,10H,1-4,7-9H2
InChIKeySYZBLWARQJTNGJ-UHFFFAOYSA-N
XLogP2.87
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.19
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-(3-pyrrolidin-1-ylpropyl)pyridin-3-amine
CID 154654076
5-bromo-2-(3-pyrrolidin-1-ylpropoxy)pyridine
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2-(azetidin-1-ylmethyl)-5-bromopyridine
CID 105484340
1-[(5-bromo-2-pyridinyl)methyl]-4-methylpiperazine
CID 23438151
5-bromo-2-(4-cyclopropylbutyl)pyridine
CID 71137385
5-bromo-2-(3-phenylpropyl)pyridine
CID 22127052
1-[(5-bromo-2-pyridinyl)methyl]-1,4-diazepane
CID 115741251
3-(5-bromo-2-pyridinyl)-N-propan-2-ylpropan-1-amine
CID 104810396
3-[4-(5-bromo-2-pyridinyl)-1,4-diazepan-1-yl]propan-1-amine
CID 60870254
5-bromo-2-(10,10,10-trifluorodecyl)pyridine
CID 151052015
4-(5-bromo-2-pyridinyl)-N,N-dimethylbutan-1-amine
CID 167637244
5-bromo-2-[2-(4-bromopyrazol-1-yl)ethyl]pyridine
CID 164645104

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(3-pyrrolidin-1-ylpropyl)pyridine?
The IUPAC name of 5-bromo-2-(3-pyrrolidin-1-ylpropyl)pyridine (CID 58234518) is 5-bromo-2-(3-pyrrolidin-1-ylpropyl)pyridine.
What is the SMILES notation for 5-bromo-2-(3-pyrrolidin-1-ylpropyl)pyridine?
The canonical SMILES for 5-bromo-2-(3-pyrrolidin-1-ylpropyl)pyridine is Brc1ccc(CCCN2CCCC2)nc1.
What is the InChIKey of 5-bromo-2-(3-pyrrolidin-1-ylpropyl)pyridine?
The InChIKey is SYZBLWARQJTNGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2/c13-11-5-6-12(14-10-11)4-3-9-15-7-1-2-8-15/h5-6,10H,1-4,7-9H2.
What are the key properties of 5-bromo-2-(3-pyrrolidin-1-ylpropyl)pyridine?
5-bromo-2-(3-pyrrolidin-1-ylpropyl)pyridine has a molecular weight of 269.19 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(3-pyrrolidin-1-ylpropyl)pyridine is sourced from PubChem (CID 58234518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).