1-(2-bromo-5-chloro-3-pyridinyl)-2-methylpropan-1-ol

C9H11BrClNO — CID 175958580

IUPAC1-(2-bromo-5-chloro-3-pyridinyl)-2-methylpropan-1-ol
SMILESCC(C)C(O)c1cc(Cl)cnc1Br
InChIInChI=1S/C9H11BrClNO/c1-5(2)8(13)7-3-6(11)4-12-9(7)10/h3-5,8,13H,1-2H3
InChIKeyQWQROMOILPQWAH-UHFFFAOYSA-N
MW264.55 g/mol
LogP3.19
Rot. Bonds2

About 1-(2-bromo-5-chloro-3-pyridinyl)-2-methylpropan-1-ol

1-(2-bromo-5-chloro-3-pyridinyl)-2-methylpropan-1-ol (PubChem CID 175958580) has the molecular formula C9H11BrClNO and a molecular weight of 264.55 g/mol. Its IUPAC name is 1-(2-bromo-5-chloro-3-pyridinyl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name1-(2-bromo-5-chloro-3-pyridinyl)-2-methylpropan-1-ol
PubChem CID175958580
Molecular FormulaC9H11BrClNO
Molecular Weight264.55 g/mol
Exact Mass262.97
IUPAC Name1-(2-bromo-5-chloro-3-pyridinyl)-2-methylpropan-1-ol
SMILESCC(C)C(O)c1cc(Cl)cnc1Br
InChIInChI=1S/C9H11BrClNO/c1-5(2)8(13)7-3-6(11)4-12-9(7)10/h3-5,8,13H,1-2H3
InChIKeyQWQROMOILPQWAH-UHFFFAOYSA-N
XLogP3.19
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.55
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 1-(2-bromo-5-chloro-3-pyridinyl)-2-methylpropan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-chloro-3-pyridinyl)-2-methylpropan-1-ol?
The IUPAC name of 1-(2-bromo-5-chloro-3-pyridinyl)-2-methylpropan-1-ol (CID 175958580) is 1-(2-bromo-5-chloro-3-pyridinyl)-2-methylpropan-1-ol.
What is the SMILES notation for 1-(2-bromo-5-chloro-3-pyridinyl)-2-methylpropan-1-ol?
The canonical SMILES for 1-(2-bromo-5-chloro-3-pyridinyl)-2-methylpropan-1-ol is CC(C)C(O)c1cc(Cl)cnc1Br.
What is the InChIKey of 1-(2-bromo-5-chloro-3-pyridinyl)-2-methylpropan-1-ol?
The InChIKey is QWQROMOILPQWAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrClNO/c1-5(2)8(13)7-3-6(11)4-12-9(7)10/h3-5,8,13H,1-2H3.
What are the key properties of 1-(2-bromo-5-chloro-3-pyridinyl)-2-methylpropan-1-ol?
1-(2-bromo-5-chloro-3-pyridinyl)-2-methylpropan-1-ol has a molecular weight of 264.55 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-chloro-3-pyridinyl)-2-methylpropan-1-ol is sourced from PubChem (CID 175958580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).