2-chloro-3-(dichloromethyl)-5-phenylpyrazine

C11H7Cl3N2 — CID 10659885

IUPAC2-chloro-3-(dichloromethyl)-5-phenylpyrazine
SMILESClc1ncc(-c2ccccc2)nc1C(Cl)Cl
InChIInChI=1S/C11H7Cl3N2/c12-10(13)9-11(14)15-6-8(16-9)7-4-2-1-3-5-7/h1-6,10H
InChIKeyIABXCUNZSZCTRZ-UHFFFAOYSA-N
MW273.55 g/mol
LogP4.27
Rot. Bonds2

About 2-chloro-3-(dichloromethyl)-5-phenylpyrazine

2-chloro-3-(dichloromethyl)-5-phenylpyrazine (PubChem CID 10659885) has the molecular formula C11H7Cl3N2 and a molecular weight of 273.55 g/mol. Its IUPAC name is 2-chloro-3-(dichloromethyl)-5-phenylpyrazine.

Molecular Properties

Compound Name2-chloro-3-(dichloromethyl)-5-phenylpyrazine
PubChem CID10659885
Molecular FormulaC11H7Cl3N2
Molecular Weight273.55 g/mol
Exact Mass271.97
IUPAC Name2-chloro-3-(dichloromethyl)-5-phenylpyrazine
SMILESClc1ncc(-c2ccccc2)nc1C(Cl)Cl
InChIInChI=1S/C11H7Cl3N2/c12-10(13)9-11(14)15-6-8(16-9)7-4-2-1-3-5-7/h1-6,10H
InChIKeyIABXCUNZSZCTRZ-UHFFFAOYSA-N
XLogP4.27
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.55
LogP ≤ 54.27
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-chloro-5-phenylpyrazine
CID 1236664
7-chloro-2-phenylquinoxaline
CID 12631823
2-chloro-3,6-diphenylpyridine
CID 165358662
3-chloro-6-phenyl-1,2,4-triazine
CID 11030632
1-(dichloromethyl)-4-phenylisoquinoline
CID 139599954
2,3-diphenyl-5-(4-phenylphenyl)pyrazine
CID 58991364
4-chloro-2-phenyl-6-(6-phenyl-3-pyridinyl)pyrimidine
CID 146632020
5-chloro-2-phenyl-1,6-naphthyridine
CID 97181185
2,5-bis[4-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]phenyl]pyrazine
CID 134313368
6-chloro-7-methyl-2-phenylquinoxaline
CID 102434799
2,4,6-tris[2-(6-phenyl-3-pyridinyl)phenyl]pyridine
CID 134191347
5-(dichloromethyl)-3-phenyl-1H-1,2,4-triazole
CID 135081190

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-(dichloromethyl)-5-phenylpyrazine?
The IUPAC name of 2-chloro-3-(dichloromethyl)-5-phenylpyrazine (CID 10659885) is 2-chloro-3-(dichloromethyl)-5-phenylpyrazine.
What is the SMILES notation for 2-chloro-3-(dichloromethyl)-5-phenylpyrazine?
The canonical SMILES for 2-chloro-3-(dichloromethyl)-5-phenylpyrazine is Clc1ncc(-c2ccccc2)nc1C(Cl)Cl.
What is the InChIKey of 2-chloro-3-(dichloromethyl)-5-phenylpyrazine?
The InChIKey is IABXCUNZSZCTRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl3N2/c12-10(13)9-11(14)15-6-8(16-9)7-4-2-1-3-5-7/h1-6,10H.
What are the key properties of 2-chloro-3-(dichloromethyl)-5-phenylpyrazine?
2-chloro-3-(dichloromethyl)-5-phenylpyrazine has a molecular weight of 273.55 g/mol, XLogP of 4.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(dichloromethyl)-5-phenylpyrazine is sourced from PubChem (CID 10659885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).