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

C10H12BrNO — CID 86594757

IUPAC1-(2-bromo-3-pyridinyl)cyclopentan-1-ol
SMILESOC1(c2cccnc2Br)CCCC1
InChIInChI=1S/C10H12BrNO/c11-9-8(4-3-7-12-9)10(13)5-1-2-6-10/h3-4,7,13H,1-2,5-6H2
InChIKeyKNIPYIYTCDELFV-UHFFFAOYSA-N
MW242.12 g/mol
LogP2.61
Rot. Bonds1

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

1-(2-bromo-3-pyridinyl)cyclopentan-1-ol (PubChem CID 86594757) has the molecular formula C10H12BrNO and a molecular weight of 242.12 g/mol. Its IUPAC name is 1-(2-bromo-3-pyridinyl)cyclopentan-1-ol.

Molecular Properties

Compound Name1-(2-bromo-3-pyridinyl)cyclopentan-1-ol
PubChem CID86594757
Molecular FormulaC10H12BrNO
Molecular Weight242.12 g/mol
Exact Mass241.01
IUPAC Name1-(2-bromo-3-pyridinyl)cyclopentan-1-ol
SMILESOC1(c2cccnc2Br)CCCC1
InChIInChI=1S/C10H12BrNO/c11-9-8(4-3-7-12-9)10(13)5-1-2-6-10/h3-4,7,13H,1-2,5-6H2
InChIKeyKNIPYIYTCDELFV-UHFFFAOYSA-N
XLogP2.61
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.12
LogP ≤ 52.61
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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Related Compounds

Phenyl(pyridin-3-yl)methanol
CID 234839
2'-Hydroxynicotine
CID 23615292
1-(4-Bromophenyl)-3-(dimethylamino)-1-(pyridin-3-yl)propan-1-ol
CID 12914022
Diphenyl(pyridin-3-yl)methanol
CID 298509
6-Bromo-3-pyridinemethanol
CID 6421249
1-(Pyridin-3-yl)propan-1-ol
CID 11083942
(2-Bromopyridin-3-yl)methanol
CID 14761460
2-(Pyridin-3-yl)propan-2-ol
CID 10725403
2-Pyrrolidinol, 1-methyl-2-(3-pyridinyl)-
CID 432
(4-Bromophenyl)-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methanol
CID 56672639
(5-Bromo-3-pyridinyl)methanol
CID 2784733
(2-Bromopyridin-4-yl)methanol
CID 14512957

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-3-pyridinyl)cyclopentan-1-ol?
The IUPAC name of 1-(2-bromo-3-pyridinyl)cyclopentan-1-ol (CID 86594757) is 1-(2-bromo-3-pyridinyl)cyclopentan-1-ol.
What is the SMILES notation for 1-(2-bromo-3-pyridinyl)cyclopentan-1-ol?
The canonical SMILES for 1-(2-bromo-3-pyridinyl)cyclopentan-1-ol is OC1(c2cccnc2Br)CCCC1.
What is the InChIKey of 1-(2-bromo-3-pyridinyl)cyclopentan-1-ol?
The InChIKey is KNIPYIYTCDELFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO/c11-9-8(4-3-7-12-9)10(13)5-1-2-6-10/h3-4,7,13H,1-2,5-6H2.
What are the key properties of 1-(2-bromo-3-pyridinyl)cyclopentan-1-ol?
1-(2-bromo-3-pyridinyl)cyclopentan-1-ol has a molecular weight of 242.12 g/mol, XLogP of 2.61, 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)cyclopentan-1-ol is sourced from PubChem (CID 86594757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).