3-bromo-4-methyl-2-phenylmethoxypyridine

C13H12BrNO — CID 69463567

IUPAC3-bromo-4-methyl-2-phenylmethoxypyridine
SMILESCc1ccnc(OCc2ccccc2)c1Br
InChIInChI=1S/C13H12BrNO/c1-10-7-8-15-13(12(10)14)16-9-11-5-3-2-4-6-11/h2-8H,9H2,1H3
InChIKeySXAJTZDHMRDGSI-UHFFFAOYSA-N
MW278.15 g/mol
LogP3.73
Rot. Bonds3

About 3-bromo-4-methyl-2-phenylmethoxypyridine

3-bromo-4-methyl-2-phenylmethoxypyridine (PubChem CID 69463567) has the molecular formula C13H12BrNO and a molecular weight of 278.15 g/mol. Its IUPAC name is 3-bromo-4-methyl-2-phenylmethoxypyridine.

Molecular Properties

Compound Name3-bromo-4-methyl-2-phenylmethoxypyridine
PubChem CID69463567
Molecular FormulaC13H12BrNO
Molecular Weight278.15 g/mol
Exact Mass277.01
IUPAC Name3-bromo-4-methyl-2-phenylmethoxypyridine
SMILESCc1ccnc(OCc2ccccc2)c1Br
InChIInChI=1S/C13H12BrNO/c1-10-7-8-15-13(12(10)14)16-9-11-5-3-2-4-6-11/h2-8H,9H2,1H3
InChIKeySXAJTZDHMRDGSI-UHFFFAOYSA-N
XLogP3.73
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.15
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-(4-Methoxy-phenyl)-vinyl]-pyridine
CID 735606
2-(Benzyloxy)pyridine
CID 295859
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
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
4-[(E)-2-[5-bromo-6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-3-pyridinyl]ethenyl]-N-methylaniline
CID 16221445
(E)-(5-Bromo-6-{2-[2-(2-fluoroethoxy)ethoxy]ethoxy}pyridin-3-yl)-2-(4-hydroxyphenyl)-ethylene
CID 16221447
(E)-[5-Bromo-6-(2-hydroxyethoxy)pyridin-3-yl]-2-(4-dimethylaminophenyl)-ethylene
CID 16221511

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-methyl-2-phenylmethoxypyridine?
The IUPAC name of 3-bromo-4-methyl-2-phenylmethoxypyridine (CID 69463567) is 3-bromo-4-methyl-2-phenylmethoxypyridine.
What is the SMILES notation for 3-bromo-4-methyl-2-phenylmethoxypyridine?
The canonical SMILES for 3-bromo-4-methyl-2-phenylmethoxypyridine is Cc1ccnc(OCc2ccccc2)c1Br.
What is the InChIKey of 3-bromo-4-methyl-2-phenylmethoxypyridine?
The InChIKey is SXAJTZDHMRDGSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrNO/c1-10-7-8-15-13(12(10)14)16-9-11-5-3-2-4-6-11/h2-8H,9H2,1H3.
What are the key properties of 3-bromo-4-methyl-2-phenylmethoxypyridine?
3-bromo-4-methyl-2-phenylmethoxypyridine has a molecular weight of 278.15 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-methyl-2-phenylmethoxypyridine is sourced from PubChem (CID 69463567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).