2-(chloromethyl)-5-(3-methylphenoxy)pyrazine

C12H11ClN2O — CID 107373703

IUPAC2-(chloromethyl)-5-(3-methylphenoxy)pyrazine
SMILESCc1cccc(Oc2cnc(CCl)cn2)c1
InChIInChI=1S/C12H11ClN2O/c1-9-3-2-4-11(5-9)16-12-8-14-10(6-13)7-15-12/h2-5,7-8H,6H2,1H3
InChIKeyJPUMGWTZXOVRIC-UHFFFAOYSA-N
MW234.69 g/mol
LogP3.32
Rot. Bonds3

About 2-(chloromethyl)-5-(3-methylphenoxy)pyrazine

2-(chloromethyl)-5-(3-methylphenoxy)pyrazine (PubChem CID 107373703) has the molecular formula C12H11ClN2O and a molecular weight of 234.69 g/mol. Its IUPAC name is 2-(chloromethyl)-5-(3-methylphenoxy)pyrazine.

Molecular Properties

Compound Name2-(chloromethyl)-5-(3-methylphenoxy)pyrazine
PubChem CID107373703
Molecular FormulaC12H11ClN2O
Molecular Weight234.69 g/mol
Exact Mass234.06
IUPAC Name2-(chloromethyl)-5-(3-methylphenoxy)pyrazine
SMILESCc1cccc(Oc2cnc(CCl)cn2)c1
InChIInChI=1S/C12H11ClN2O/c1-9-3-2-4-11(5-9)16-12-8-14-10(6-13)7-15-12/h2-5,7-8H,6H2,1H3
InChIKeyJPUMGWTZXOVRIC-UHFFFAOYSA-N
XLogP3.32
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.69
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-(chloromethyl)-6-(3-methylphenoxy)pyridazine
CID 61267321
2-(2-bromo-4-methylphenoxy)-5-(chloromethyl)pyrazine
CID 107373728
2-(4-bromo-3-fluorophenoxy)-5-(chloromethyl)pyrazine
CID 107373790
[5-(3-chlorophenoxy)pyrazin-2-yl]methanol
CID 107373083
4-methyl-6-(3-methylphenoxy)pyridin-3-amine
CID 79020882
[5-(3,5-dimethylphenoxy)pyrazin-2-yl]methanol
CID 107373077
1-[5-chloro-2-(3-methylphenoxy)-4-pyridinyl]-N-methylmethanamine
CID 114928186
4-(chloromethyl)-2-(3-methylphenoxy)quinoline
CID 63446156
2-(3-methylphenoxy)pyrimidine
CID 20603792
N-[[5-(3-methoxyphenoxy)pyrazin-2-yl]methyl]propan-1-amine
CID 107381742
[5-methyl-6-(3-methylphenoxy)-3-pyridinyl]methanamine
CID 80636065
5-(chloromethyl)-2-(3,5-dimethylphenoxy)pyridine
CID 61270098

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-5-(3-methylphenoxy)pyrazine?
The IUPAC name of 2-(chloromethyl)-5-(3-methylphenoxy)pyrazine (CID 107373703) is 2-(chloromethyl)-5-(3-methylphenoxy)pyrazine.
What is the SMILES notation for 2-(chloromethyl)-5-(3-methylphenoxy)pyrazine?
The canonical SMILES for 2-(chloromethyl)-5-(3-methylphenoxy)pyrazine is Cc1cccc(Oc2cnc(CCl)cn2)c1.
What is the InChIKey of 2-(chloromethyl)-5-(3-methylphenoxy)pyrazine?
The InChIKey is JPUMGWTZXOVRIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O/c1-9-3-2-4-11(5-9)16-12-8-14-10(6-13)7-15-12/h2-5,7-8H,6H2,1H3.
What are the key properties of 2-(chloromethyl)-5-(3-methylphenoxy)pyrazine?
2-(chloromethyl)-5-(3-methylphenoxy)pyrazine has a molecular weight of 234.69 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-5-(3-methylphenoxy)pyrazine is sourced from PubChem (CID 107373703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).