2-bromo-3-chloro-5-phenylmethoxypyridine

C12H9BrClNO — CID 71711003

IUPAC2-bromo-3-chloro-5-phenylmethoxypyridine
SMILESClc1cc(OCc2ccccc2)cnc1Br
InChIInChI=1S/C12H9BrClNO/c13-12-11(14)6-10(7-15-12)16-8-9-4-2-1-3-5-9/h1-7H,8H2
InChIKeyBCQADVYYDAZODF-UHFFFAOYSA-N
MW298.57 g/mol
LogP4.08
Rot. Bonds3

About 2-bromo-3-chloro-5-phenylmethoxypyridine

2-bromo-3-chloro-5-phenylmethoxypyridine (PubChem CID 71711003) has the molecular formula C12H9BrClNO and a molecular weight of 298.57 g/mol. Its IUPAC name is 2-bromo-3-chloro-5-phenylmethoxypyridine.

Molecular Properties

Compound Name2-bromo-3-chloro-5-phenylmethoxypyridine
PubChem CID71711003
Molecular FormulaC12H9BrClNO
Molecular Weight298.57 g/mol
Exact Mass296.96
IUPAC Name2-bromo-3-chloro-5-phenylmethoxypyridine
SMILESClc1cc(OCc2ccccc2)cnc1Br
InChIInChI=1S/C12H9BrClNO/c13-12-11(14)6-10(7-15-12)16-8-9-4-2-1-3-5-9/h1-7H,8H2
InChIKeyBCQADVYYDAZODF-UHFFFAOYSA-N
XLogP4.08
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.57
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-2-methyl-5-phenylmethoxypyridine
CID 67611027
2-bromo-3-methyl-5-phenylmethoxypyridine
CID 171367579
3-bromo-5-phenylmethoxypyridine
CID 15389198
2-bromo-5-chloro-3-phenylmethoxypyrazine
CID 121218855
3-bromo-4-chloro-6-phenylmethoxyquinoline
CID 114759884
2-iodo-5-phenylmethoxypyrimidine
CID 153056979
5-phenylmethoxypyrimidin-2-amine
CID 20748397
2-methyl-5-phenylmethoxypyrimidine
CID 59993103
3,4-dichloro-6-phenylmethoxyquinoline
CID 114759785
2-bromo-5-fluoro-3-phenylmethoxypyridine
CID 151293566
2-phenyl-5-phenylmethoxypyrimidine
CID 151774114
4-bromo-1-chloro-2-[(4-phenylmethoxyphenyl)methyl]benzene
CID 66875668

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-chloro-5-phenylmethoxypyridine?
The IUPAC name of 2-bromo-3-chloro-5-phenylmethoxypyridine (CID 71711003) is 2-bromo-3-chloro-5-phenylmethoxypyridine.
What is the SMILES notation for 2-bromo-3-chloro-5-phenylmethoxypyridine?
The canonical SMILES for 2-bromo-3-chloro-5-phenylmethoxypyridine is Clc1cc(OCc2ccccc2)cnc1Br.
What is the InChIKey of 2-bromo-3-chloro-5-phenylmethoxypyridine?
The InChIKey is BCQADVYYDAZODF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrClNO/c13-12-11(14)6-10(7-15-12)16-8-9-4-2-1-3-5-9/h1-7H,8H2.
What are the key properties of 2-bromo-3-chloro-5-phenylmethoxypyridine?
2-bromo-3-chloro-5-phenylmethoxypyridine has a molecular weight of 298.57 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-chloro-5-phenylmethoxypyridine is sourced from PubChem (CID 71711003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).