2-bromo-5-chloro-3-phenylmethoxypyrazine

C11H8BrClN2O — CID 121218855

IUPAC2-bromo-5-chloro-3-phenylmethoxypyrazine
SMILESClc1cnc(Br)c(OCc2ccccc2)n1
InChIInChI=1S/C11H8BrClN2O/c12-10-11(15-9(13)6-14-10)16-7-8-4-2-1-3-5-8/h1-6H,7H2
InChIKeyKLQXUNMUQOFZDO-UHFFFAOYSA-N
MW299.56 g/mol
LogP3.47
Rot. Bonds3

About 2-bromo-5-chloro-3-phenylmethoxypyrazine

2-bromo-5-chloro-3-phenylmethoxypyrazine (PubChem CID 121218855) has the molecular formula C11H8BrClN2O and a molecular weight of 299.56 g/mol. Its IUPAC name is 2-bromo-5-chloro-3-phenylmethoxypyrazine.

Molecular Properties

Compound Name2-bromo-5-chloro-3-phenylmethoxypyrazine
PubChem CID121218855
Molecular FormulaC11H8BrClN2O
Molecular Weight299.56 g/mol
Exact Mass297.95
IUPAC Name2-bromo-5-chloro-3-phenylmethoxypyrazine
SMILESClc1cnc(Br)c(OCc2ccccc2)n1
InChIInChI=1S/C11H8BrClN2O/c12-10-11(15-9(13)6-14-10)16-7-8-4-2-1-3-5-8/h1-6H,7H2
InChIKeyKLQXUNMUQOFZDO-UHFFFAOYSA-N
XLogP3.47
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.56
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-bromo-3-chloro-1-phenylmethoxyisoquinoline
CID 86677086
2-bromo-3-chloro-5-phenylmethoxypyridine
CID 71711003
2-bromo-5-fluoro-3-phenylmethoxypyridine
CID 151293566
3-bromo-6-iodo-2-phenylmethoxypyridine
CID 90076323
6-chloro-3-(4-phenylmethoxyphenoxy)pyrazine-2-carbonitrile
CID 22662788
6-chloro-4-phenylmethoxy-1H-imidazo[4,5-c]pyridine
CID 22340732
2-bromo-3-fluoro-6-methyl-5-phenylmethoxypyrazine
CID 122543842
2-bromo-3-methyl-5-phenylmethoxypyridine
CID 171367579
4-chloro-3,5-dimethyl-2-phenylmethoxypyridine
CID 139821187
6-chloro-1-methyl-4-phenylmethoxyimidazo[4,5-c]pyridine
CID 20820677
3-(5-bromo-2-pyridinyl)-2,6-bis(phenylmethoxy)pyridine
CID 167474815
3-(4-bromophenyl)-2,6-bis(phenylmethoxy)pyridine
CID 163203487

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-chloro-3-phenylmethoxypyrazine?
The IUPAC name of 2-bromo-5-chloro-3-phenylmethoxypyrazine (CID 121218855) is 2-bromo-5-chloro-3-phenylmethoxypyrazine.
What is the SMILES notation for 2-bromo-5-chloro-3-phenylmethoxypyrazine?
The canonical SMILES for 2-bromo-5-chloro-3-phenylmethoxypyrazine is Clc1cnc(Br)c(OCc2ccccc2)n1.
What is the InChIKey of 2-bromo-5-chloro-3-phenylmethoxypyrazine?
The InChIKey is KLQXUNMUQOFZDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrClN2O/c12-10-11(15-9(13)6-14-10)16-7-8-4-2-1-3-5-8/h1-6H,7H2.
What are the key properties of 2-bromo-5-chloro-3-phenylmethoxypyrazine?
2-bromo-5-chloro-3-phenylmethoxypyrazine has a molecular weight of 299.56 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-chloro-3-phenylmethoxypyrazine is sourced from PubChem (CID 121218855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).