[1-(5-bromo-3-pyridinyl)pyrrolidin-2-yl]methanol

C10H13BrN2O — CID 89439842

IUPAC[1-(5-bromo-3-pyridinyl)pyrrolidin-2-yl]methanol
SMILESOCC1CCCN1c1cncc(Br)c1
InChIInChI=1S/C10H13BrN2O/c11-8-4-10(6-12-5-8)13-3-1-2-9(13)7-14/h4-6,9,14H,1-3,7H2
InChIKeyOHISPWQLCBIJTC-UHFFFAOYSA-N
MW257.13 g/mol
LogP1.81
Rot. Bonds2

About [1-(5-bromo-3-pyridinyl)pyrrolidin-2-yl]methanol

[1-(5-bromo-3-pyridinyl)pyrrolidin-2-yl]methanol (PubChem CID 89439842) has the molecular formula C10H13BrN2O and a molecular weight of 257.13 g/mol. Its IUPAC name is [1-(5-bromo-3-pyridinyl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-(5-bromo-3-pyridinyl)pyrrolidin-2-yl]methanol
PubChem CID89439842
Molecular FormulaC10H13BrN2O
Molecular Weight257.13 g/mol
Exact Mass256.02
IUPAC Name[1-(5-bromo-3-pyridinyl)pyrrolidin-2-yl]methanol
SMILESOCC1CCCN1c1cncc(Br)c1
InChIInChI=1S/C10H13BrN2O/c11-8-4-10(6-12-5-8)13-3-1-2-9(13)7-14/h4-6,9,14H,1-3,7H2
InChIKeyOHISPWQLCBIJTC-UHFFFAOYSA-N
XLogP1.81
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.13
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-5-[(2S)-2-(chloromethyl)pyrrolidin-1-yl]pyridine
CID 86679113
3-bromo-5-(2-ethylpyrrolidin-1-yl)pyridine
CID 104531587
[(2S)-1-[(5-bromo-3-pyridinyl)sulfonyl]pyrrolidin-2-yl]methanol
CID 66260969
[(2S)-1-pyridin-3-ylpiperidin-2-yl]methanol
CID 86336410
(2R)-1-(5-bromo-3-pyridinyl)-N-cyclopropylpyrrolidine-2-carboxamide
CID 99636699
[2-(5-bromo-3-pyridinyl)-2-azabicyclo[3.1.0]hexan-3-yl]methanol
CID 67297729
[1-(4-bromophenyl)azetidin-2-yl]methanol
CID 170627419
[1-(8-amino-3-bromoimidazo[1,2-a]pyridin-6-yl)pyrrolidin-2-yl]methanol
CID 23593534
[1-(6-aminopyrazin-2-yl)pyrrolidin-2-yl]methanol
CID 79033972
[1-[5-(3-bromophenyl)pyrimidin-2-yl]pyrrolidin-2-yl]methanol
CID 116976636
1-[1-(5-bromo-3-pyridinyl)piperidin-4-yl]ethanol
CID 71871118
[(2R)-1-(3-fluorophenyl)pyrrolidin-2-yl]methanol
CID 173099689

Frequently Asked Questions

What is the IUPAC name of [1-(5-bromo-3-pyridinyl)pyrrolidin-2-yl]methanol?
The IUPAC name of [1-(5-bromo-3-pyridinyl)pyrrolidin-2-yl]methanol (CID 89439842) is [1-(5-bromo-3-pyridinyl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-(5-bromo-3-pyridinyl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-(5-bromo-3-pyridinyl)pyrrolidin-2-yl]methanol is OCC1CCCN1c1cncc(Br)c1.
What is the InChIKey of [1-(5-bromo-3-pyridinyl)pyrrolidin-2-yl]methanol?
The InChIKey is OHISPWQLCBIJTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O/c11-8-4-10(6-12-5-8)13-3-1-2-9(13)7-14/h4-6,9,14H,1-3,7H2.
What are the key properties of [1-(5-bromo-3-pyridinyl)pyrrolidin-2-yl]methanol?
[1-(5-bromo-3-pyridinyl)pyrrolidin-2-yl]methanol has a molecular weight of 257.13 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-bromo-3-pyridinyl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 89439842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).