(6-bromo-2-pyridinyl)-(4-fluorophenyl)methanol

C12H9BrFNO — CID 86602988

IUPAC(6-bromo-2-pyridinyl)-(4-fluorophenyl)methanol
SMILESOC(c1ccc(F)cc1)c1cccc(Br)n1
InChIInChI=1S/C12H9BrFNO/c13-11-3-1-2-10(15-11)12(16)8-4-6-9(14)7-5-8/h1-7,12,16H
InChIKeyKXHHKCIDXOZCLO-UHFFFAOYSA-N
MW282.11 g/mol
LogP3.06
Rot. Bonds2

About (6-bromo-2-pyridinyl)-(4-fluorophenyl)methanol

(6-bromo-2-pyridinyl)-(4-fluorophenyl)methanol (PubChem CID 86602988) has the molecular formula C12H9BrFNO and a molecular weight of 282.11 g/mol. Its IUPAC name is (6-bromo-2-pyridinyl)-(4-fluorophenyl)methanol.

Molecular Properties

Compound Name(6-bromo-2-pyridinyl)-(4-fluorophenyl)methanol
PubChem CID86602988
Molecular FormulaC12H9BrFNO
Molecular Weight282.11 g/mol
Exact Mass280.99
IUPAC Name(6-bromo-2-pyridinyl)-(4-fluorophenyl)methanol
SMILESOC(c1ccc(F)cc1)c1cccc(Br)n1
InChIInChI=1S/C12H9BrFNO/c13-11-3-1-2-10(15-11)12(16)8-4-6-9(14)7-5-8/h1-7,12,16H
InChIKeyKXHHKCIDXOZCLO-UHFFFAOYSA-N
XLogP3.06
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.11
LogP ≤ 53.06
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-2-pyridinyl)-(4-fluorophenyl)methanol?
The IUPAC name of (6-bromo-2-pyridinyl)-(4-fluorophenyl)methanol (CID 86602988) is (6-bromo-2-pyridinyl)-(4-fluorophenyl)methanol.
What is the SMILES notation for (6-bromo-2-pyridinyl)-(4-fluorophenyl)methanol?
The canonical SMILES for (6-bromo-2-pyridinyl)-(4-fluorophenyl)methanol is OC(c1ccc(F)cc1)c1cccc(Br)n1.
What is the InChIKey of (6-bromo-2-pyridinyl)-(4-fluorophenyl)methanol?
The InChIKey is KXHHKCIDXOZCLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrFNO/c13-11-3-1-2-10(15-11)12(16)8-4-6-9(14)7-5-8/h1-7,12,16H.
What are the key properties of (6-bromo-2-pyridinyl)-(4-fluorophenyl)methanol?
(6-bromo-2-pyridinyl)-(4-fluorophenyl)methanol has a molecular weight of 282.11 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-2-pyridinyl)-(4-fluorophenyl)methanol is sourced from PubChem (CID 86602988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).