(6-bromo-5-chloro-2-pyridinyl)methanol

C6H5BrClNO — CID 112693746

IUPAC(6-bromo-5-chloro-2-pyridinyl)methanol
SMILESOCc1ccc(Cl)c(Br)n1
InChIInChI=1S/C6H5BrClNO/c7-6-5(8)2-1-4(3-10)9-6/h1-2,10H,3H2
InChIKeyFYUAZNSDELASGI-UHFFFAOYSA-N
MW222.47 g/mol
LogP1.99
Rot. Bonds1

About (6-bromo-5-chloro-2-pyridinyl)methanol

(6-bromo-5-chloro-2-pyridinyl)methanol (PubChem CID 112693746) has the molecular formula C6H5BrClNO and a molecular weight of 222.47 g/mol. Its IUPAC name is (6-bromo-5-chloro-2-pyridinyl)methanol.

Molecular Properties

Compound Name(6-bromo-5-chloro-2-pyridinyl)methanol
PubChem CID112693746
Molecular FormulaC6H5BrClNO
Molecular Weight222.47 g/mol
Exact Mass220.92
IUPAC Name(6-bromo-5-chloro-2-pyridinyl)methanol
SMILESOCc1ccc(Cl)c(Br)n1
InChIInChI=1S/C6H5BrClNO/c7-6-5(8)2-1-4(3-10)9-6/h1-2,10H,3H2
InChIKeyFYUAZNSDELASGI-UHFFFAOYSA-N
XLogP1.99
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.47
LogP ≤ 51.99
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 (6-bromo-5-chloro-2-pyridinyl)methanol?
The IUPAC name of (6-bromo-5-chloro-2-pyridinyl)methanol (CID 112693746) is (6-bromo-5-chloro-2-pyridinyl)methanol.
What is the SMILES notation for (6-bromo-5-chloro-2-pyridinyl)methanol?
The canonical SMILES for (6-bromo-5-chloro-2-pyridinyl)methanol is OCc1ccc(Cl)c(Br)n1.
What is the InChIKey of (6-bromo-5-chloro-2-pyridinyl)methanol?
The InChIKey is FYUAZNSDELASGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrClNO/c7-6-5(8)2-1-4(3-10)9-6/h1-2,10H,3H2.
What are the key properties of (6-bromo-5-chloro-2-pyridinyl)methanol?
(6-bromo-5-chloro-2-pyridinyl)methanol has a molecular weight of 222.47 g/mol, XLogP of 1.99, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-5-chloro-2-pyridinyl)methanol is sourced from PubChem (CID 112693746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).