2-bromo-3-methyl-5-phenylmethoxypyridine

C13H12BrNO — CID 171367579

IUPAC2-bromo-3-methyl-5-phenylmethoxypyridine
SMILESCc1cc(OCc2ccccc2)cnc1Br
InChIInChI=1S/C13H12BrNO/c1-10-7-12(8-15-13(10)14)16-9-11-5-3-2-4-6-11/h2-8H,9H2,1H3
InChIKeyWMAWTUHGQQSXNF-UHFFFAOYSA-N
MW278.15 g/mol
LogP3.73
Rot. Bonds3

About 2-bromo-3-methyl-5-phenylmethoxypyridine

2-bromo-3-methyl-5-phenylmethoxypyridine (PubChem CID 171367579) has the molecular formula C13H12BrNO and a molecular weight of 278.15 g/mol. Its IUPAC name is 2-bromo-3-methyl-5-phenylmethoxypyridine.

Molecular Properties

Compound Name2-bromo-3-methyl-5-phenylmethoxypyridine
PubChem CID171367579
Molecular FormulaC13H12BrNO
Molecular Weight278.15 g/mol
Exact Mass277.01
IUPAC Name2-bromo-3-methyl-5-phenylmethoxypyridine
SMILESCc1cc(OCc2ccccc2)cnc1Br
InChIInChI=1S/C13H12BrNO/c1-10-7-12(8-15-13(10)14)16-9-11-5-3-2-4-6-11/h2-8H,9H2,1H3
InChIKeyWMAWTUHGQQSXNF-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

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-3-chloro-5-phenylmethoxypyridine
CID 71711003
2-methyl-5-phenylmethoxypyrimidine
CID 59993103
3-chloro-2-methyl-5-phenylmethoxypyridine
CID 67611027
3-bromo-5-phenylmethoxypyridine
CID 15389198
N'-(3-methyl-5-phenylmethoxy-2-pyridinyl)ethane-1,2-diamine
CID 129055748
2-bromo-4-methyl-5-phenylmethoxypyridine
CID 166661810
2-methyl-4-phenylmethoxybenzenethiol
CID 142266616
2-methyl-4,6-bis(phenylmethoxy)phenol
CID 11301646
N,2-dimethyl-4-phenylmethoxyaniline;2-methyl-4-phenylmethoxyaniline
CID 158131264
2-bromo-4-ethyl-3-methyl-5-phenylmethoxypyridine
CID 90979990
5-phenylmethoxypyrimidin-2-amine
CID 20748397
2-iodo-5-phenylmethoxypyrimidine
CID 153056979

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-methyl-5-phenylmethoxypyridine?
The IUPAC name of 2-bromo-3-methyl-5-phenylmethoxypyridine (CID 171367579) is 2-bromo-3-methyl-5-phenylmethoxypyridine.
What is the SMILES notation for 2-bromo-3-methyl-5-phenylmethoxypyridine?
The canonical SMILES for 2-bromo-3-methyl-5-phenylmethoxypyridine is Cc1cc(OCc2ccccc2)cnc1Br.
What is the InChIKey of 2-bromo-3-methyl-5-phenylmethoxypyridine?
The InChIKey is WMAWTUHGQQSXNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrNO/c1-10-7-12(8-15-13(10)14)16-9-11-5-3-2-4-6-11/h2-8H,9H2,1H3.
What are the key properties of 2-bromo-3-methyl-5-phenylmethoxypyridine?
2-bromo-3-methyl-5-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 2-bromo-3-methyl-5-phenylmethoxypyridine is sourced from PubChem (CID 171367579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).