(3,5-dibromo-4-pyridinyl)methanol

C6H5Br2NO — CID 22911327

IUPAC(3,5-dibromo-4-pyridinyl)methanol
SMILESOCc1c(Br)cncc1Br
InChIInChI=1S/C6H5Br2NO/c7-5-1-9-2-6(8)4(5)3-10/h1-2,10H,3H2
InChIKeyZHNPEZCPMQFETF-UHFFFAOYSA-N
MW266.92 g/mol
LogP2.10
Rot. Bonds1

About (3,5-dibromo-4-pyridinyl)methanol

(3,5-dibromo-4-pyridinyl)methanol (PubChem CID 22911327) has the molecular formula C6H5Br2NO and a molecular weight of 266.92 g/mol. Its IUPAC name is (3,5-dibromo-4-pyridinyl)methanol.

Molecular Properties

Compound Name(3,5-dibromo-4-pyridinyl)methanol
PubChem CID22911327
Molecular FormulaC6H5Br2NO
Molecular Weight266.92 g/mol
Exact Mass264.87
IUPAC Name(3,5-dibromo-4-pyridinyl)methanol
SMILESOCc1c(Br)cncc1Br
InChIInChI=1S/C6H5Br2NO/c7-5-1-9-2-6(8)4(5)3-10/h1-2,10H,3H2
InChIKeyZHNPEZCPMQFETF-UHFFFAOYSA-N
XLogP2.10
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.92
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3,5-dibromo-4-pyridinyl)methanol?
The IUPAC name of (3,5-dibromo-4-pyridinyl)methanol (CID 22911327) is (3,5-dibromo-4-pyridinyl)methanol.
What is the SMILES notation for (3,5-dibromo-4-pyridinyl)methanol?
The canonical SMILES for (3,5-dibromo-4-pyridinyl)methanol is OCc1c(Br)cncc1Br.
What is the InChIKey of (3,5-dibromo-4-pyridinyl)methanol?
The InChIKey is ZHNPEZCPMQFETF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5Br2NO/c7-5-1-9-2-6(8)4(5)3-10/h1-2,10H,3H2.
What are the key properties of (3,5-dibromo-4-pyridinyl)methanol?
(3,5-dibromo-4-pyridinyl)methanol has a molecular weight of 266.92 g/mol, XLogP of 2.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dibromo-4-pyridinyl)methanol is sourced from PubChem (CID 22911327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).