(4-bromo-3-pyridinyl)methanol;hydrochloride

C6H7BrClNO — CID 71669148

IUPAC(4-bromo-3-pyridinyl)methanol;hydrochloride
SMILESCl.OCc1cnccc1Br
InChIInChI=1S/C6H6BrNO.ClH/c7-6-1-2-8-3-5(6)4-9;/h1-3,9H,4H2;1H
InChIKeyPDQPYZSLVWMFCL-UHFFFAOYSA-N
MW224.49 g/mol
LogP1.76
Rot. Bonds1

About (4-bromo-3-pyridinyl)methanol;hydrochloride

(4-bromo-3-pyridinyl)methanol;hydrochloride (PubChem CID 71669148) has the molecular formula C6H7BrClNO and a molecular weight of 224.49 g/mol. Its IUPAC name is (4-bromo-3-pyridinyl)methanol;hydrochloride.

Molecular Properties

Compound Name(4-bromo-3-pyridinyl)methanol;hydrochloride
PubChem CID71669148
Molecular FormulaC6H7BrClNO
Molecular Weight224.49 g/mol
Exact Mass222.94
IUPAC Name(4-bromo-3-pyridinyl)methanol;hydrochloride
SMILESCl.OCc1cnccc1Br
InChIInChI=1S/C6H6BrNO.ClH/c7-6-1-2-8-3-5(6)4-9;/h1-3,9H,4H2;1H
InChIKeyPDQPYZSLVWMFCL-UHFFFAOYSA-N
XLogP1.76
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.49
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-bromo-3-pyridinyl)methanol;hydrochloride?
The IUPAC name of (4-bromo-3-pyridinyl)methanol;hydrochloride (CID 71669148) is (4-bromo-3-pyridinyl)methanol;hydrochloride.
What is the SMILES notation for (4-bromo-3-pyridinyl)methanol;hydrochloride?
The canonical SMILES for (4-bromo-3-pyridinyl)methanol;hydrochloride is Cl.OCc1cnccc1Br.
What is the InChIKey of (4-bromo-3-pyridinyl)methanol;hydrochloride?
The InChIKey is PDQPYZSLVWMFCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BrNO.ClH/c7-6-1-2-8-3-5(6)4-9;/h1-3,9H,4H2;1H.
What are the key properties of (4-bromo-3-pyridinyl)methanol;hydrochloride?
(4-bromo-3-pyridinyl)methanol;hydrochloride has a molecular weight of 224.49 g/mol, XLogP of 1.76, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-3-pyridinyl)methanol;hydrochloride is sourced from PubChem (CID 71669148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).