[2-(4-bromobut-1-ynyl)-4-pyridinyl]methanol

C10H10BrNO — CID 170465845

IUPAC[2-(4-bromobut-1-ynyl)-4-pyridinyl]methanol
SMILESOCc1ccnc(C#CCCBr)c1
InChIInChI=1S/C10H10BrNO/c11-5-2-1-3-10-7-9(8-13)4-6-12-10/h4,6-7,13H,2,5,8H2
InChIKeyVBZWNMRTMALTCV-UHFFFAOYSA-N
MW240.10 g/mol
LogP1.71
Rot. Bonds2

About [2-(4-bromobut-1-ynyl)-4-pyridinyl]methanol

[2-(4-bromobut-1-ynyl)-4-pyridinyl]methanol (PubChem CID 170465845) has the molecular formula C10H10BrNO and a molecular weight of 240.10 g/mol. Its IUPAC name is [2-(4-bromobut-1-ynyl)-4-pyridinyl]methanol.

Molecular Properties

Compound Name[2-(4-bromobut-1-ynyl)-4-pyridinyl]methanol
PubChem CID170465845
Molecular FormulaC10H10BrNO
Molecular Weight240.10 g/mol
Exact Mass238.99
IUPAC Name[2-(4-bromobut-1-ynyl)-4-pyridinyl]methanol
SMILESOCc1ccnc(C#CCCBr)c1
InChIInChI=1S/C10H10BrNO/c11-5-2-1-3-10-7-9(8-13)4-6-12-10/h4,6-7,13H,2,5,8H2
InChIKeyVBZWNMRTMALTCV-UHFFFAOYSA-N
XLogP1.71
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.10
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-(4-bromobut-1-ynyl)-4-pyridinyl]methanol?
The IUPAC name of [2-(4-bromobut-1-ynyl)-4-pyridinyl]methanol (CID 170465845) is [2-(4-bromobut-1-ynyl)-4-pyridinyl]methanol.
What is the SMILES notation for [2-(4-bromobut-1-ynyl)-4-pyridinyl]methanol?
The canonical SMILES for [2-(4-bromobut-1-ynyl)-4-pyridinyl]methanol is OCc1ccnc(C#CCCBr)c1.
What is the InChIKey of [2-(4-bromobut-1-ynyl)-4-pyridinyl]methanol?
The InChIKey is VBZWNMRTMALTCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNO/c11-5-2-1-3-10-7-9(8-13)4-6-12-10/h4,6-7,13H,2,5,8H2.
What are the key properties of [2-(4-bromobut-1-ynyl)-4-pyridinyl]methanol?
[2-(4-bromobut-1-ynyl)-4-pyridinyl]methanol has a molecular weight of 240.10 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-bromobut-1-ynyl)-4-pyridinyl]methanol is sourced from PubChem (CID 170465845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).