(6-bromo-3-pyridinyl)methanol

C6H6BrNO — CID 6421249

IUPAC(6-bromo-3-pyridinyl)methanol
SMILESOCc1ccc(Br)nc1
InChIInChI=1S/C6H6BrNO/c7-6-2-1-5(4-9)3-8-6/h1-3,9H,4H2
InChIKeyQPPDKOIDAYZUHN-UHFFFAOYSA-N
MW188.02 g/mol
LogP1.34
Rot. Bonds1

About (6-bromo-3-pyridinyl)methanol

(6-bromo-3-pyridinyl)methanol (PubChem CID 6421249) has the molecular formula C6H6BrNO and a molecular weight of 188.02 g/mol. Its IUPAC name is (6-bromo-3-pyridinyl)methanol.

Molecular Properties

Compound Name(6-bromo-3-pyridinyl)methanol
PubChem CID6421249
Molecular FormulaC6H6BrNO
Molecular Weight188.02 g/mol
Exact Mass186.96
IUPAC Name(6-bromo-3-pyridinyl)methanol
SMILESOCc1ccc(Br)nc1
InChIInChI=1S/C6H6BrNO/c7-6-2-1-5(4-9)3-8-6/h1-3,9H,4H2
InChIKeyQPPDKOIDAYZUHN-UHFFFAOYSA-N
XLogP1.34
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.02
LogP ≤ 51.34
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-3-pyridinyl)methanol?
The IUPAC name of (6-bromo-3-pyridinyl)methanol (CID 6421249) is (6-bromo-3-pyridinyl)methanol.
What is the SMILES notation for (6-bromo-3-pyridinyl)methanol?
The canonical SMILES for (6-bromo-3-pyridinyl)methanol is OCc1ccc(Br)nc1.
What is the InChIKey of (6-bromo-3-pyridinyl)methanol?
The InChIKey is QPPDKOIDAYZUHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BrNO/c7-6-2-1-5(4-9)3-8-6/h1-3,9H,4H2.
What are the key properties of (6-bromo-3-pyridinyl)methanol?
(6-bromo-3-pyridinyl)methanol has a molecular weight of 188.02 g/mol, XLogP of 1.34, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-3-pyridinyl)methanol is sourced from PubChem (CID 6421249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).