(4-bromo-2-pyridinyl)methanol

C6H6BrNO — CID 14761462

IUPAC(4-bromo-2-pyridinyl)methanol
SMILESOCc1cc(Br)ccn1
InChIInChI=1S/C6H6BrNO/c7-5-1-2-8-6(3-5)4-9/h1-3,9H,4H2
InChIKeyMHVUUSQGWMQSMH-UHFFFAOYSA-N
MW188.02 g/mol
LogP1.34
Rot. Bonds1

About (4-bromo-2-pyridinyl)methanol

(4-bromo-2-pyridinyl)methanol (PubChem CID 14761462) has the molecular formula C6H6BrNO and a molecular weight of 188.02 g/mol. Its IUPAC name is (4-bromo-2-pyridinyl)methanol.

Molecular Properties

Compound Name(4-bromo-2-pyridinyl)methanol
PubChem CID14761462
Molecular FormulaC6H6BrNO
Molecular Weight188.02 g/mol
Exact Mass186.96
IUPAC Name(4-bromo-2-pyridinyl)methanol
SMILESOCc1cc(Br)ccn1
InChIInChI=1S/C6H6BrNO/c7-5-1-2-8-6(3-5)4-9/h1-3,9H,4H2
InChIKeyMHVUUSQGWMQSMH-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

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Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-pyridinyl)methanol?
The IUPAC name of (4-bromo-2-pyridinyl)methanol (CID 14761462) is (4-bromo-2-pyridinyl)methanol.
What is the SMILES notation for (4-bromo-2-pyridinyl)methanol?
The canonical SMILES for (4-bromo-2-pyridinyl)methanol is OCc1cc(Br)ccn1.
What is the InChIKey of (4-bromo-2-pyridinyl)methanol?
The InChIKey is MHVUUSQGWMQSMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BrNO/c7-5-1-2-8-6(3-5)4-9/h1-3,9H,4H2.
What are the key properties of (4-bromo-2-pyridinyl)methanol?
(4-bromo-2-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 (4-bromo-2-pyridinyl)methanol is sourced from PubChem (CID 14761462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).