1-(2-bromo-3-pyridinyl)cyclohexan-1-ol

C11H14BrNO — CID 86276539

IUPAC1-(2-bromo-3-pyridinyl)cyclohexan-1-ol
SMILESOC1(c2cccnc2Br)CCCCC1
InChIInChI=1S/C11H14BrNO/c12-10-9(5-4-8-13-10)11(14)6-2-1-3-7-11/h4-5,8,14H,1-3,6-7H2
InChIKeySRFPBPKLLFLQEN-UHFFFAOYSA-N
MW256.14 g/mol
LogP3.00
Rot. Bonds1

About 1-(2-bromo-3-pyridinyl)cyclohexan-1-ol

1-(2-bromo-3-pyridinyl)cyclohexan-1-ol (PubChem CID 86276539) has the molecular formula C11H14BrNO and a molecular weight of 256.14 g/mol. Its IUPAC name is 1-(2-bromo-3-pyridinyl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-(2-bromo-3-pyridinyl)cyclohexan-1-ol
PubChem CID86276539
Molecular FormulaC11H14BrNO
Molecular Weight256.14 g/mol
Exact Mass255.03
IUPAC Name1-(2-bromo-3-pyridinyl)cyclohexan-1-ol
SMILESOC1(c2cccnc2Br)CCCCC1
InChIInChI=1S/C11H14BrNO/c12-10-9(5-4-8-13-10)11(14)6-2-1-3-7-11/h4-5,8,14H,1-3,6-7H2
InChIKeySRFPBPKLLFLQEN-UHFFFAOYSA-N
XLogP3.00
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.14
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-3-pyridinyl)cyclohexan-1-ol?
The IUPAC name of 1-(2-bromo-3-pyridinyl)cyclohexan-1-ol (CID 86276539) is 1-(2-bromo-3-pyridinyl)cyclohexan-1-ol.
What is the SMILES notation for 1-(2-bromo-3-pyridinyl)cyclohexan-1-ol?
The canonical SMILES for 1-(2-bromo-3-pyridinyl)cyclohexan-1-ol is OC1(c2cccnc2Br)CCCCC1.
What is the InChIKey of 1-(2-bromo-3-pyridinyl)cyclohexan-1-ol?
The InChIKey is SRFPBPKLLFLQEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO/c12-10-9(5-4-8-13-10)11(14)6-2-1-3-7-11/h4-5,8,14H,1-3,6-7H2.
What are the key properties of 1-(2-bromo-3-pyridinyl)cyclohexan-1-ol?
1-(2-bromo-3-pyridinyl)cyclohexan-1-ol has a molecular weight of 256.14 g/mol, XLogP of 3.00, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-3-pyridinyl)cyclohexan-1-ol is sourced from PubChem (CID 86276539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).