[3-(5-bromo-2-pyridinyl)pyrrolidin-2-yl]methanol

C10H13BrN2O — CID 130566235

IUPAC[3-(5-bromo-2-pyridinyl)pyrrolidin-2-yl]methanol
SMILESOCC1NCCC1c1ccc(Br)cn1
InChIInChI=1S/C10H13BrN2O/c11-7-1-2-9(13-5-7)8-3-4-12-10(8)6-14/h1-2,5,8,10,12,14H,3-4,6H2
InChIKeyCGGJXGDBUUDAEP-UHFFFAOYSA-N
MW257.13 g/mol
LogP1.28
Rot. Bonds2

About [3-(5-bromo-2-pyridinyl)pyrrolidin-2-yl]methanol

[3-(5-bromo-2-pyridinyl)pyrrolidin-2-yl]methanol (PubChem CID 130566235) has the molecular formula C10H13BrN2O and a molecular weight of 257.13 g/mol. Its IUPAC name is [3-(5-bromo-2-pyridinyl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[3-(5-bromo-2-pyridinyl)pyrrolidin-2-yl]methanol
PubChem CID130566235
Molecular FormulaC10H13BrN2O
Molecular Weight257.13 g/mol
Exact Mass256.02
IUPAC Name[3-(5-bromo-2-pyridinyl)pyrrolidin-2-yl]methanol
SMILESOCC1NCCC1c1ccc(Br)cn1
InChIInChI=1S/C10H13BrN2O/c11-7-1-2-9(13-5-7)8-3-4-12-10(8)6-14/h1-2,5,8,10,12,14H,3-4,6H2
InChIKeyCGGJXGDBUUDAEP-UHFFFAOYSA-N
XLogP1.28
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.13
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(1S,2S)-2-(5-bromo-2-pyridinyl)cyclopropyl]methanol
CID 71086058
2-(azetidin-2-yl)-5-bromopyridine
CID 112693368
2-[(2S)-azetidin-2-yl]-5-bromopyridine
CID 131039507
[(2S,3S)-3-(2-bromophenyl)pyrrolidin-2-yl]methanol
CID 131001241
(3-pyridin-3-ylpyrrolidin-2-yl)methanol
CID 126982382
[(2R,3S)-3-phenylpyrrolidin-2-yl]methanol
CID 98008478
5-bromo-2-pyrrolidin-2-ylpyridine
CID 67294409
5-bromo-2-pyrrolidin-2-ylpyridine;hydrochloride
CID 118998863
5-bromo-2-[(2S)-piperidin-2-yl]pyridine;hydrochloride
CID 171194911
5-bromo-2-(oxetan-2-yl)pyridine
CID 158241460
[3-(1-ethylimidazol-2-yl)pyrrolidin-2-yl]methanol
CID 131165540
4-(2-ethylpyrrolidin-3-yl)pyrimidine
CID 63987876

Frequently Asked Questions

What is the IUPAC name of [3-(5-bromo-2-pyridinyl)pyrrolidin-2-yl]methanol?
The IUPAC name of [3-(5-bromo-2-pyridinyl)pyrrolidin-2-yl]methanol (CID 130566235) is [3-(5-bromo-2-pyridinyl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [3-(5-bromo-2-pyridinyl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [3-(5-bromo-2-pyridinyl)pyrrolidin-2-yl]methanol is OCC1NCCC1c1ccc(Br)cn1.
What is the InChIKey of [3-(5-bromo-2-pyridinyl)pyrrolidin-2-yl]methanol?
The InChIKey is CGGJXGDBUUDAEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O/c11-7-1-2-9(13-5-7)8-3-4-12-10(8)6-14/h1-2,5,8,10,12,14H,3-4,6H2.
What are the key properties of [3-(5-bromo-2-pyridinyl)pyrrolidin-2-yl]methanol?
[3-(5-bromo-2-pyridinyl)pyrrolidin-2-yl]methanol has a molecular weight of 257.13 g/mol, XLogP of 1.28, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-bromo-2-pyridinyl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 130566235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).