2-(chloromethyl)-6-phenylpyrazine

C11H9ClN2 — CID 177237498

IUPAC2-(chloromethyl)-6-phenylpyrazine
SMILESClCc1cncc(-c2ccccc2)n1
InChIInChI=1S/C11H9ClN2/c12-6-10-7-13-8-11(14-10)9-4-2-1-3-5-9/h1-5,7-8H,6H2
InChIKeyRQUGYJFNOASJNP-UHFFFAOYSA-N
MW204.66 g/mol
LogP2.88
Rot. Bonds2

About 2-(chloromethyl)-6-phenylpyrazine

2-(chloromethyl)-6-phenylpyrazine (PubChem CID 177237498) has the molecular formula C11H9ClN2 and a molecular weight of 204.66 g/mol. Its IUPAC name is 2-(chloromethyl)-6-phenylpyrazine.

Molecular Properties

Compound Name2-(chloromethyl)-6-phenylpyrazine
PubChem CID177237498
Molecular FormulaC11H9ClN2
Molecular Weight204.66 g/mol
Exact Mass204.05
IUPAC Name2-(chloromethyl)-6-phenylpyrazine
SMILESClCc1cncc(-c2ccccc2)n1
InChIInChI=1S/C11H9ClN2/c12-6-10-7-13-8-11(14-10)9-4-2-1-3-5-9/h1-5,7-8H,6H2
InChIKeyRQUGYJFNOASJNP-UHFFFAOYSA-N
XLogP2.88
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.66
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(chloromethyl)-5-phenylpyrazine
CID 19769444
2-iodo-6-(4-phenylphenyl)pyrazine
CID 163933131
2-methyl-6-(4-phenylphenyl)pyrazine
CID 144588852
2-(chloromethyl)-6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazine
CID 155386797
ethane;2-methyl-6-(4-phenylphenyl)pyrazine
CID 144588851
1-[4-[(6-phenylpyrazin-2-yl)methyl]piperidin-1-yl]ethanone
CID 95820935
2-(2,3-dichlorophenyl)-6-phenylpyrazine
CID 68675412
2-butan-2-yl-6-phenylpyrazine
CID 139480999
4-chloro-6-phenyl-2-(4-phenylphenyl)pyrimidine
CID 158883215
2-chloro-6-(chloromethyl)-3-phenylpyridine
CID 19023694
2-(4-benzylpiperazin-1-yl)-6-(chloromethyl)pyrazine
CID 66466862
2,3-bis(chloromethyl)-6-phenylpyridine
CID 18916594

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-6-phenylpyrazine?
The IUPAC name of 2-(chloromethyl)-6-phenylpyrazine (CID 177237498) is 2-(chloromethyl)-6-phenylpyrazine.
What is the SMILES notation for 2-(chloromethyl)-6-phenylpyrazine?
The canonical SMILES for 2-(chloromethyl)-6-phenylpyrazine is ClCc1cncc(-c2ccccc2)n1.
What is the InChIKey of 2-(chloromethyl)-6-phenylpyrazine?
The InChIKey is RQUGYJFNOASJNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2/c12-6-10-7-13-8-11(14-10)9-4-2-1-3-5-9/h1-5,7-8H,6H2.
What are the key properties of 2-(chloromethyl)-6-phenylpyrazine?
2-(chloromethyl)-6-phenylpyrazine has a molecular weight of 204.66 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-6-phenylpyrazine is sourced from PubChem (CID 177237498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).