(2-bromo-3-pyridinyl)-(2-methoxyphenyl)methanol

C13H12BrNO2 — CID 87716631

IUPAC(2-bromo-3-pyridinyl)-(2-methoxyphenyl)methanol
SMILESCOc1ccccc1C(O)c1cccnc1Br
InChIInChI=1S/C13H12BrNO2/c1-17-11-7-3-2-5-9(11)12(16)10-6-4-8-15-13(10)14/h2-8,12,16H,1H3
InChIKeyHEJUBTYBCCPUJF-UHFFFAOYSA-N
MW294.15 g/mol
LogP2.93
Rot. Bonds3

About (2-bromo-3-pyridinyl)-(2-methoxyphenyl)methanol

(2-bromo-3-pyridinyl)-(2-methoxyphenyl)methanol (PubChem CID 87716631) has the molecular formula C13H12BrNO2 and a molecular weight of 294.15 g/mol. Its IUPAC name is (2-bromo-3-pyridinyl)-(2-methoxyphenyl)methanol.

Molecular Properties

Compound Name(2-bromo-3-pyridinyl)-(2-methoxyphenyl)methanol
PubChem CID87716631
Molecular FormulaC13H12BrNO2
Molecular Weight294.15 g/mol
Exact Mass293.01
IUPAC Name(2-bromo-3-pyridinyl)-(2-methoxyphenyl)methanol
SMILESCOc1ccccc1C(O)c1cccnc1Br
InChIInChI=1S/C13H12BrNO2/c1-17-11-7-3-2-5-9(11)12(16)10-6-4-8-15-13(10)14/h2-8,12,16H,1H3
InChIKeyHEJUBTYBCCPUJF-UHFFFAOYSA-N
XLogP2.93
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.15
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 (2-bromo-3-pyridinyl)-(2-methoxyphenyl)methanol?
The IUPAC name of (2-bromo-3-pyridinyl)-(2-methoxyphenyl)methanol (CID 87716631) is (2-bromo-3-pyridinyl)-(2-methoxyphenyl)methanol.
What is the SMILES notation for (2-bromo-3-pyridinyl)-(2-methoxyphenyl)methanol?
The canonical SMILES for (2-bromo-3-pyridinyl)-(2-methoxyphenyl)methanol is COc1ccccc1C(O)c1cccnc1Br.
What is the InChIKey of (2-bromo-3-pyridinyl)-(2-methoxyphenyl)methanol?
The InChIKey is HEJUBTYBCCPUJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrNO2/c1-17-11-7-3-2-5-9(11)12(16)10-6-4-8-15-13(10)14/h2-8,12,16H,1H3.
What are the key properties of (2-bromo-3-pyridinyl)-(2-methoxyphenyl)methanol?
(2-bromo-3-pyridinyl)-(2-methoxyphenyl)methanol has a molecular weight of 294.15 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-3-pyridinyl)-(2-methoxyphenyl)methanol is sourced from PubChem (CID 87716631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).