(5-bromo-3-pyridinyl)-cyclopropylmethanol

C9H10BrNO — CID 59825022

IUPAC(5-bromo-3-pyridinyl)-cyclopropylmethanol
SMILESOC(c1cncc(Br)c1)C1CC1
InChIInChI=1S/C9H10BrNO/c10-8-3-7(4-11-5-8)9(12)6-1-2-6/h3-6,9,12H,1-2H2
InChIKeyQQLHQVVMYLPLOJ-UHFFFAOYSA-N
MW228.09 g/mol
LogP2.29
Rot. Bonds2

About (5-bromo-3-pyridinyl)-cyclopropylmethanol

(5-bromo-3-pyridinyl)-cyclopropylmethanol (PubChem CID 59825022) has the molecular formula C9H10BrNO and a molecular weight of 228.09 g/mol. Its IUPAC name is (5-bromo-3-pyridinyl)-cyclopropylmethanol.

Molecular Properties

Compound Name(5-bromo-3-pyridinyl)-cyclopropylmethanol
PubChem CID59825022
Molecular FormulaC9H10BrNO
Molecular Weight228.09 g/mol
Exact Mass226.99
IUPAC Name(5-bromo-3-pyridinyl)-cyclopropylmethanol
SMILESOC(c1cncc(Br)c1)C1CC1
InChIInChI=1S/C9H10BrNO/c10-8-3-7(4-11-5-8)9(12)6-1-2-6/h3-6,9,12H,1-2H2
InChIKeyQQLHQVVMYLPLOJ-UHFFFAOYSA-N
XLogP2.29
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 ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-bromo-3-pyridinyl)-cyclopropylmethanol;3,5-dibromopyridine
CID 160748574
(1S)-1-(5-bromo-3-pyridinyl)ethanol
CID 68671332
(R)-(5-bromo-3-pyridinyl)-piperidin-4-ylmethanamine
CID 171314087
2-(5-bromo-3-pyridinyl)-1-(4-propan-2-ylcyclohexyl)ethanol
CID 104800225
(1R)-1-(5-bromo-3-pyridinyl)-2-cyclopropylethanamine;hydrochloride
CID 171198670
(1R)-1-(5-bromo-3-pyridinyl)-2,2,2-trifluoroethanol
CID 86335057
(1S)-1-(5-bromo-3-pyridinyl)-2-(methylamino)ethanol
CID 96804187
3-(5-bromo-3-pyridinyl)-3-hydroxypropanal
CID 114795397
2-(5-bromo-3-pyridinyl)-1-cycloheptylethanol
CID 104800221
1-(5-bromo-3-pyridinyl)-3-ethylpentan-1-ol
CID 82919855
(3,5-dibromophenyl)-(oxan-4-yl)methanol
CID 107978364
(1R)-1-(5-bromo-3-pyridinyl)-2-(ethylamino)ethanol
CID 99598967

Frequently Asked Questions

What is the IUPAC name of (5-bromo-3-pyridinyl)-cyclopropylmethanol?
The IUPAC name of (5-bromo-3-pyridinyl)-cyclopropylmethanol (CID 59825022) is (5-bromo-3-pyridinyl)-cyclopropylmethanol.
What is the SMILES notation for (5-bromo-3-pyridinyl)-cyclopropylmethanol?
The canonical SMILES for (5-bromo-3-pyridinyl)-cyclopropylmethanol is OC(c1cncc(Br)c1)C1CC1.
What is the InChIKey of (5-bromo-3-pyridinyl)-cyclopropylmethanol?
The InChIKey is QQLHQVVMYLPLOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO/c10-8-3-7(4-11-5-8)9(12)6-1-2-6/h3-6,9,12H,1-2H2.
What are the key properties of (5-bromo-3-pyridinyl)-cyclopropylmethanol?
(5-bromo-3-pyridinyl)-cyclopropylmethanol has a molecular weight of 228.09 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-3-pyridinyl)-cyclopropylmethanol is sourced from PubChem (CID 59825022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).