2-(2-chloro-4-fluorophenyl)-3-(chloromethyl)pyrazine

C11H7Cl2FN2 — CID 154672751

IUPAC2-(2-chloro-4-fluorophenyl)-3-(chloromethyl)pyrazine
SMILESFc1ccc(-c2nccnc2CCl)c(Cl)c1
InChIInChI=1S/C11H7Cl2FN2/c12-6-10-11(16-4-3-15-10)8-2-1-7(14)5-9(8)13/h1-5H,6H2
InChIKeyOLKDIMPZQMLSSM-UHFFFAOYSA-N
MW257.10 g/mol
LogP3.67
Rot. Bonds2

About 2-(2-chloro-4-fluorophenyl)-3-(chloromethyl)pyrazine

2-(2-chloro-4-fluorophenyl)-3-(chloromethyl)pyrazine (PubChem CID 154672751) has the molecular formula C11H7Cl2FN2 and a molecular weight of 257.10 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenyl)-3-(chloromethyl)pyrazine.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenyl)-3-(chloromethyl)pyrazine
PubChem CID154672751
Molecular FormulaC11H7Cl2FN2
Molecular Weight257.10 g/mol
Exact Mass256.00
IUPAC Name2-(2-chloro-4-fluorophenyl)-3-(chloromethyl)pyrazine
SMILESFc1ccc(-c2nccnc2CCl)c(Cl)c1
InChIInChI=1S/C11H7Cl2FN2/c12-6-10-11(16-4-3-15-10)8-2-1-7(14)5-9(8)13/h1-5H,6H2
InChIKeyOLKDIMPZQMLSSM-UHFFFAOYSA-N
XLogP3.67
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.10
LogP ≤ 53.67
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

3-(2-chloro-4-fluorophenyl)-1H-pyrazin-2-one
CID 106520984
2,4-dichloro-6-(2-chloro-4-fluorophenyl)-1,3,5-triazine
CID 115504981
4-chloro-6-(2-chloro-4-fluorophenyl)pyrimidine
CID 24902070
4-chloro-6-(2-chloro-4-fluorophenyl)-5-propylpyrimidine
CID 113324911
3-(2-chloro-4-fluorophenyl)-5-(3-chloropropyl)-1,2,4-oxadiazole
CID 62945973
4-chloro-6-(2-chloro-4-fluorophenyl)-5-propan-2-ylpyrimidine
CID 113324916
5-chloro-3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazole
CID 62944891
[5-(2-chloro-4-fluorophenyl)-3-[(2,5-difluorophenyl)methyl]imidazol-4-yl]methanamine
CID 24764611
2-(2-chloro-4-fluorophenyl)-5-propan-2-ylpyrazine
CID 178073316
6-(2-chloro-4-fluorophenyl)pyridine-3-carbaldehyde
CID 175646824
3-(2-chloro-5-fluorophenyl)-N-methylpyrazin-2-amine
CID 105396110
2-(chloromethyl)-3,5-bis(4-fluorophenyl)pyridine
CID 131869651

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluorophenyl)-3-(chloromethyl)pyrazine?
The IUPAC name of 2-(2-chloro-4-fluorophenyl)-3-(chloromethyl)pyrazine (CID 154672751) is 2-(2-chloro-4-fluorophenyl)-3-(chloromethyl)pyrazine.
What is the SMILES notation for 2-(2-chloro-4-fluorophenyl)-3-(chloromethyl)pyrazine?
The canonical SMILES for 2-(2-chloro-4-fluorophenyl)-3-(chloromethyl)pyrazine is Fc1ccc(-c2nccnc2CCl)c(Cl)c1.
What is the InChIKey of 2-(2-chloro-4-fluorophenyl)-3-(chloromethyl)pyrazine?
The InChIKey is OLKDIMPZQMLSSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl2FN2/c12-6-10-11(16-4-3-15-10)8-2-1-7(14)5-9(8)13/h1-5H,6H2.
What are the key properties of 2-(2-chloro-4-fluorophenyl)-3-(chloromethyl)pyrazine?
2-(2-chloro-4-fluorophenyl)-3-(chloromethyl)pyrazine has a molecular weight of 257.10 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-fluorophenyl)-3-(chloromethyl)pyrazine is sourced from PubChem (CID 154672751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).