3-bromo-5-pyrrolidin-2-ylpyridine;dihydrochloride

C9H13BrCl2N2 — CID 155487206

IUPAC3-bromo-5-pyrrolidin-2-ylpyridine;dihydrochloride
SMILESBrc1cncc(C2CCCN2)c1.Cl.Cl
InChIInChI=1S/C9H11BrN2.2ClH/c10-8-4-7(5-11-6-8)9-2-1-3-12-9;;/h4-6,9,12H,1-3H2;2*1H
InChIKeyNKWKVIGNLVWUBT-UHFFFAOYSA-N
MW300.03 g/mol
LogP3.11
Rot. Bonds1

About 3-bromo-5-pyrrolidin-2-ylpyridine;dihydrochloride

3-bromo-5-pyrrolidin-2-ylpyridine;dihydrochloride (PubChem CID 155487206) has the molecular formula C9H13BrCl2N2 and a molecular weight of 300.03 g/mol. Its IUPAC name is 3-bromo-5-pyrrolidin-2-ylpyridine;dihydrochloride.

Molecular Properties

Compound Name3-bromo-5-pyrrolidin-2-ylpyridine;dihydrochloride
PubChem CID155487206
Molecular FormulaC9H13BrCl2N2
Molecular Weight300.03 g/mol
Exact Mass297.96
IUPAC Name3-bromo-5-pyrrolidin-2-ylpyridine;dihydrochloride
SMILESBrc1cncc(C2CCCN2)c1.Cl.Cl
InChIInChI=1S/C9H11BrN2.2ClH/c10-8-4-7(5-11-6-8)9-2-1-3-12-9;;/h4-6,9,12H,1-3H2;2*1H
InChIKeyNKWKVIGNLVWUBT-UHFFFAOYSA-N
XLogP3.11
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.03
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-5-piperidin-2-ylpyridine;dihydrochloride
CID 122198515
3-chloro-5-pyrrolidin-2-ylpyridine;dihydrochloride
CID 154733314
5-[(2S)-pyrrolidin-2-yl]pyridin-3-ol
CID 55276544
3-methyl-5-[(2R)-piperidin-2-yl]pyridine
CID 96741558
3-(3,4-dihydro-2H-pyrrol-2-yl)-5-pyrrolidin-2-ylpyridine
CID 163261196
5-pyrrolidin-2-ylpyridine-3-carbaldehyde
CID 123459636
[5-[(2S)-pyrrolidin-2-yl]-3-pyridinyl]boronic acid
CID 124671778
3-methoxy-5-[(2R)-pyrrolidin-2-yl]pyridine
CID 130624742
3-[(2S)-piperidin-2-yl]-5-(trifluoromethyl)pyridine
CID 131397807
4-[(2R)-pyrrolidin-2-yl]pyridine;hydrochloride
CID 171195835
3-[5-[(2S)-pyrrolidin-2-yl]-3-pyridinyl]prop-2-ynoic acid
CID 131871135
methyl 5-[(2R)-pyrrolidin-2-yl]pyridine-3-carboxylate
CID 131276889

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-pyrrolidin-2-ylpyridine;dihydrochloride?
The IUPAC name of 3-bromo-5-pyrrolidin-2-ylpyridine;dihydrochloride (CID 155487206) is 3-bromo-5-pyrrolidin-2-ylpyridine;dihydrochloride.
What is the SMILES notation for 3-bromo-5-pyrrolidin-2-ylpyridine;dihydrochloride?
The canonical SMILES for 3-bromo-5-pyrrolidin-2-ylpyridine;dihydrochloride is Brc1cncc(C2CCCN2)c1.Cl.Cl.
What is the InChIKey of 3-bromo-5-pyrrolidin-2-ylpyridine;dihydrochloride?
The InChIKey is NKWKVIGNLVWUBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2.2ClH/c10-8-4-7(5-11-6-8)9-2-1-3-12-9;;/h4-6,9,12H,1-3H2;2*1H.
What are the key properties of 3-bromo-5-pyrrolidin-2-ylpyridine;dihydrochloride?
3-bromo-5-pyrrolidin-2-ylpyridine;dihydrochloride has a molecular weight of 300.03 g/mol, XLogP of 3.11, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-pyrrolidin-2-ylpyridine;dihydrochloride is sourced from PubChem (CID 155487206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).