2-bromo-3-chloro-6-phenylmethoxypyridine;2-bromo-3-chloro-6-(pyridin-3-ylmethoxy)pyridine;pyridin-3-ylmethanol

C29H24Br2Cl2N4O3 — CID 158777628

IUPAC2-bromo-3-chloro-6-phenylmethoxypyridine;2-bromo-3-chloro-6-(pyridin-3-ylmethoxy)pyridine;pyridin-3-ylmethanol
SMILESClc1ccc(OCc2ccccc2)nc1Br.Clc1ccc(OCc2cccnc2)nc1Br.OCc1cccnc1
InChIInChI=1S/C12H9BrClNO.C11H8BrClN2O.C6H7NO/c13-12-10(14)6-7-11(15-12)16-8-9-4-2-1-3-5-9;12-11-9(13)3-4-10(15-11)16-7-8-2-1-5-14-6-8;8-5-6-2-1-3-7-4-6/h1-7H,8H2;1-6H,7H2;1-4,8H,5H2
InChIKeyIQRAOIGKVCFTDA-UHFFFAOYSA-N
MW707.25 g/mol
LogP8.12
Rot. Bonds7

About 2-bromo-3-chloro-6-phenylmethoxypyridine;2-bromo-3-chloro-6-(pyridin-3-ylmethoxy)pyridine;pyridin-3-ylmethanol

2-bromo-3-chloro-6-phenylmethoxypyridine;2-bromo-3-chloro-6-(pyridin-3-ylmethoxy)pyridine;pyridin-3-ylmethanol (PubChem CID 158777628) has the molecular formula C29H24Br2Cl2N4O3 and a molecular weight of 707.25 g/mol. Its IUPAC name is 2-bromo-3-chloro-6-phenylmethoxypyridine;2-bromo-3-chloro-6-(pyridin-3-ylmethoxy)pyridine;pyridin-3-ylmethanol.

Molecular Properties

Compound Name2-bromo-3-chloro-6-phenylmethoxypyridine;2-bromo-3-chloro-6-(pyridin-3-ylmethoxy)pyridine;pyridin-3-ylmethanol
PubChem CID158777628
Molecular FormulaC29H24Br2Cl2N4O3
Molecular Weight707.25 g/mol
Exact Mass703.96
IUPAC Name2-bromo-3-chloro-6-phenylmethoxypyridine;2-bromo-3-chloro-6-(pyridin-3-ylmethoxy)pyridine;pyridin-3-ylmethanol
SMILESClc1ccc(OCc2ccccc2)nc1Br.Clc1ccc(OCc2cccnc2)nc1Br.OCc1cccnc1
InChIInChI=1S/C12H9BrClNO.C11H8BrClN2O.C6H7NO/c13-12-10(14)6-7-11(15-12)16-8-9-4-2-1-3-5-9;12-11-9(13)3-4-10(15-11)16-7-8-2-1-5-14-6-8;8-5-6-2-1-3-7-4-6/h1-7H,8H2;1-6H,7H2;1-4,8H,5H2
InChIKeyIQRAOIGKVCFTDA-UHFFFAOYSA-N
XLogP8.12
TPSA90.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500707.25
LogP ≤ 58.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-bromo-3-chloro-6-phenylmethoxypyridine;2-bromo-3-chloro-6-(pyridin-3-ylmethoxy)pyridine;pyridin-3-ylmethanol 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 2-bromo-3-chloro-6-phenylmethoxypyridine;2-bromo-3-chloro-6-(pyridin-3-ylmethoxy)pyridine;pyridin-3-ylmethanol?
The IUPAC name of 2-bromo-3-chloro-6-phenylmethoxypyridine;2-bromo-3-chloro-6-(pyridin-3-ylmethoxy)pyridine;pyridin-3-ylmethanol (CID 158777628) is 2-bromo-3-chloro-6-phenylmethoxypyridine;2-bromo-3-chloro-6-(pyridin-3-ylmethoxy)pyridine;pyridin-3-ylmethanol.
What is the SMILES notation for 2-bromo-3-chloro-6-phenylmethoxypyridine;2-bromo-3-chloro-6-(pyridin-3-ylmethoxy)pyridine;pyridin-3-ylmethanol?
The canonical SMILES for 2-bromo-3-chloro-6-phenylmethoxypyridine;2-bromo-3-chloro-6-(pyridin-3-ylmethoxy)pyridine;pyridin-3-ylmethanol is Clc1ccc(OCc2ccccc2)nc1Br.Clc1ccc(OCc2cccnc2)nc1Br.OCc1cccnc1.
What is the InChIKey of 2-bromo-3-chloro-6-phenylmethoxypyridine;2-bromo-3-chloro-6-(pyridin-3-ylmethoxy)pyridine;pyridin-3-ylmethanol?
The InChIKey is IQRAOIGKVCFTDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrClNO.C11H8BrClN2O.C6H7NO/c13-12-10(14)6-7-11(15-12)16-8-9-4-2-1-3-5-9;12-11-9(13)3-4-10(15-11)16-7-8-2-1-5-14-6-8;8-5-6-2-1-3-7-4-6/h1-7H,8H2;1-6H,7H2;1-4,8H,5H2.
What are the key properties of 2-bromo-3-chloro-6-phenylmethoxypyridine;2-bromo-3-chloro-6-(pyridin-3-ylmethoxy)pyridine;pyridin-3-ylmethanol?
2-bromo-3-chloro-6-phenylmethoxypyridine;2-bromo-3-chloro-6-(pyridin-3-ylmethoxy)pyridine;pyridin-3-ylmethanol has a molecular weight of 707.25 g/mol, XLogP of 8.12, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-chloro-6-phenylmethoxypyridine;2-bromo-3-chloro-6-(pyridin-3-ylmethoxy)pyridine;pyridin-3-ylmethanol is sourced from PubChem (CID 158777628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).