3-bromo-2-phenylmethoxypyridine

C12H10BrNO — CID 14712456

IUPAC3-bromo-2-phenylmethoxypyridine
SMILESBrc1cccnc1OCc1ccccc1
InChIInChI=1S/C12H10BrNO/c13-11-7-4-8-14-12(11)15-9-10-5-2-1-3-6-10/h1-8H,9H2
InChIKeyRPBPHGSYVPJXKT-UHFFFAOYSA-N
MW264.12 g/mol
LogP3.42
Rot. Bonds3

About 3-bromo-2-phenylmethoxypyridine

3-bromo-2-phenylmethoxypyridine (PubChem CID 14712456) has the molecular formula C12H10BrNO and a molecular weight of 264.12 g/mol. Its IUPAC name is 3-bromo-2-phenylmethoxypyridine.

Molecular Properties

Compound Name3-bromo-2-phenylmethoxypyridine
PubChem CID14712456
Molecular FormulaC12H10BrNO
Molecular Weight264.12 g/mol
Exact Mass262.99
IUPAC Name3-bromo-2-phenylmethoxypyridine
SMILESBrc1cccnc1OCc1ccccc1
InChIInChI=1S/C12H10BrNO/c13-11-7-4-8-14-12(11)15-9-10-5-2-1-3-6-10/h1-8H,9H2
InChIKeyRPBPHGSYVPJXKT-UHFFFAOYSA-N
XLogP3.42
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.12
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Phenoxynicotinonitrile
CID 84242
4-[2-(4-Methoxy-phenyl)-vinyl]-pyridine
CID 735606
2-(Benzyloxy)pyridine
CID 295859
3-(4-Bromophenoxy)-pyridine
CID 12673495
5-Bromo-2-methoxypyridine
CID 2734895
N-(5-bromo-2-ethoxybenzyl)-N-(3-pyridinylmethyl)amine
CID 834314
6-Bromo-2-phenyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine
CID 514898
2H-Pyrano(2,3-b)pyridine, 6-bromo-3,4-dihydro-2-(4-methylphenyl)-
CID 514899
6-bromo-2-(4-chlorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine
CID 514900
5-Benzyl-2-(2-pyrrolidin-1-yl-ethoxy)-pyridine
CID 10636648
4-(4-Butoxy-phenyl)-pyridine
CID 11322127
3-(4-Butoxy-phenyl)-pyridine
CID 11817019

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-phenylmethoxypyridine?
The IUPAC name of 3-bromo-2-phenylmethoxypyridine (CID 14712456) is 3-bromo-2-phenylmethoxypyridine.
What is the SMILES notation for 3-bromo-2-phenylmethoxypyridine?
The canonical SMILES for 3-bromo-2-phenylmethoxypyridine is Brc1cccnc1OCc1ccccc1.
What is the InChIKey of 3-bromo-2-phenylmethoxypyridine?
The InChIKey is RPBPHGSYVPJXKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrNO/c13-11-7-4-8-14-12(11)15-9-10-5-2-1-3-6-10/h1-8H,9H2.
What are the key properties of 3-bromo-2-phenylmethoxypyridine?
3-bromo-2-phenylmethoxypyridine has a molecular weight of 264.12 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-phenylmethoxypyridine is sourced from PubChem (CID 14712456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).