[(1S,2S)-2-(5-bromo-2-pyridinyl)cyclopropyl]methanol

C9H10BrNO — CID 71086058

IUPAC[(1S,2S)-2-(5-bromo-2-pyridinyl)cyclopropyl]methanol
SMILESOC[C@H]1C[C@@H]1c1ccc(Br)cn1
InChIInChI=1S/C9H10BrNO/c10-7-1-2-9(11-4-7)8-3-6(8)5-12/h1-2,4,6,8,12H,3,5H2/t6-,8+/m1/s1
InChIKeyBLFMNWUASRWMHG-SVRRBLITSA-N
MW228.09 g/mol
LogP1.94
Rot. Bonds2

About [(1S,2S)-2-(5-bromo-2-pyridinyl)cyclopropyl]methanol

[(1S,2S)-2-(5-bromo-2-pyridinyl)cyclopropyl]methanol (PubChem CID 71086058) has the molecular formula C9H10BrNO and a molecular weight of 228.09 g/mol. Its IUPAC name is [(1S,2S)-2-(5-bromo-2-pyridinyl)cyclopropyl]methanol.

Molecular Properties

Compound Name[(1S,2S)-2-(5-bromo-2-pyridinyl)cyclopropyl]methanol
PubChem CID71086058
Molecular FormulaC9H10BrNO
Molecular Weight228.09 g/mol
Exact Mass226.99
IUPAC Name[(1S,2S)-2-(5-bromo-2-pyridinyl)cyclopropyl]methanol
SMILESOC[C@H]1C[C@@H]1c1ccc(Br)cn1
InChIInChI=1S/C9H10BrNO/c10-7-1-2-9(11-4-7)8-3-6(8)5-12/h1-2,4,6,8,12H,3,5H2/t6-,8+/m1/s1
InChIKeyBLFMNWUASRWMHG-SVRRBLITSA-N
XLogP1.94
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.09
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(5-bromo-2-pyridinyl)pyrrolidin-2-yl]methanol
CID 130566235
tert-butyl (2R)-2-(5-bromo-2-pyridinyl)cyclopropane-1-carboxylate
CID 170358870
5-bromo-2-(oxetan-2-yl)pyridine
CID 158241460
3-(5-bromo-2-pyridinyl)cyclobutan-1-one
CID 146082553
[(1R,2R)-2-(4-methyl-2-pyridinyl)cyclopropyl]methanol
CID 146166172
2-[(2S)-azetidin-2-yl]-5-bromopyridine
CID 131039507
5-bromo-2-(thian-4-yl)pyridine
CID 155970460
2-(azetidin-2-yl)-5-bromopyridine
CID 112693368
[2-(5-bromofuran-2-yl)cyclopropyl]methanol
CID 81358732
[(1R)-2-pyrimidin-5-ylcyclopropyl]methanol
CID 146166086
5-bromo-2-(1,3-dioxol-2-yl)pyridine
CID 141192691
5-bromo-2-(5-bromo-2-pyridinyl)pyridine
CID 10903103

Frequently Asked Questions

What is the IUPAC name of [(1S,2S)-2-(5-bromo-2-pyridinyl)cyclopropyl]methanol?
The IUPAC name of [(1S,2S)-2-(5-bromo-2-pyridinyl)cyclopropyl]methanol (CID 71086058) is [(1S,2S)-2-(5-bromo-2-pyridinyl)cyclopropyl]methanol.
What is the SMILES notation for [(1S,2S)-2-(5-bromo-2-pyridinyl)cyclopropyl]methanol?
The canonical SMILES for [(1S,2S)-2-(5-bromo-2-pyridinyl)cyclopropyl]methanol is OC[C@H]1C[C@@H]1c1ccc(Br)cn1.
What is the InChIKey of [(1S,2S)-2-(5-bromo-2-pyridinyl)cyclopropyl]methanol?
The InChIKey is BLFMNWUASRWMHG-SVRRBLITSA-N. The full InChI is InChI=1S/C9H10BrNO/c10-7-1-2-9(11-4-7)8-3-6(8)5-12/h1-2,4,6,8,12H,3,5H2/t6-,8+/m1/s1.
What are the key properties of [(1S,2S)-2-(5-bromo-2-pyridinyl)cyclopropyl]methanol?
[(1S,2S)-2-(5-bromo-2-pyridinyl)cyclopropyl]methanol has a molecular weight of 228.09 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S)-2-(5-bromo-2-pyridinyl)cyclopropyl]methanol is sourced from PubChem (CID 71086058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).