[4-(bromomethyl)-3-pyridinyl]methanol

C7H8BrNO — CID 139484815

IUPAC[4-(bromomethyl)-3-pyridinyl]methanol
SMILESOCc1cnccc1CBr
InChIInChI=1S/C7H8BrNO/c8-3-6-1-2-9-4-7(6)5-10/h1-2,4,10H,3,5H2
InChIKeyZXEFFSKTMMFWOA-UHFFFAOYSA-N
MW202.05 g/mol
LogP1.47
Rot. Bonds2

About [4-(bromomethyl)-3-pyridinyl]methanol

[4-(bromomethyl)-3-pyridinyl]methanol (PubChem CID 139484815) has the molecular formula C7H8BrNO and a molecular weight of 202.05 g/mol. Its IUPAC name is [4-(bromomethyl)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[4-(bromomethyl)-3-pyridinyl]methanol
PubChem CID139484815
Molecular FormulaC7H8BrNO
Molecular Weight202.05 g/mol
Exact Mass200.98
IUPAC Name[4-(bromomethyl)-3-pyridinyl]methanol
SMILESOCc1cnccc1CBr
InChIInChI=1S/C7H8BrNO/c8-3-6-1-2-9-4-7(6)5-10/h1-2,4,10H,3,5H2
InChIKeyZXEFFSKTMMFWOA-UHFFFAOYSA-N
XLogP1.47
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.05
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-(bromomethyl)-3-pyridinyl]methanol?
The IUPAC name of [4-(bromomethyl)-3-pyridinyl]methanol (CID 139484815) is [4-(bromomethyl)-3-pyridinyl]methanol.
What is the SMILES notation for [4-(bromomethyl)-3-pyridinyl]methanol?
The canonical SMILES for [4-(bromomethyl)-3-pyridinyl]methanol is OCc1cnccc1CBr.
What is the InChIKey of [4-(bromomethyl)-3-pyridinyl]methanol?
The InChIKey is ZXEFFSKTMMFWOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrNO/c8-3-6-1-2-9-4-7(6)5-10/h1-2,4,10H,3,5H2.
What are the key properties of [4-(bromomethyl)-3-pyridinyl]methanol?
[4-(bromomethyl)-3-pyridinyl]methanol has a molecular weight of 202.05 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(bromomethyl)-3-pyridinyl]methanol is sourced from PubChem (CID 139484815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).