2-chloro-5-phenylpyrazine

C10H7ClN2 — CID 1236664

IUPAC2-chloro-5-phenylpyrazine
SMILESClc1cnc(-c2ccccc2)cn1
InChIInChI=1S/C10H7ClN2/c11-10-7-12-9(6-13-10)8-4-2-1-3-5-8/h1-7H
InChIKeyIKWXPYFPNVAWJY-UHFFFAOYSA-N
MW190.63 g/mol
LogP2.80
Rot. Bonds1

About 2-chloro-5-phenylpyrazine

2-chloro-5-phenylpyrazine (PubChem CID 1236664) has the molecular formula C10H7ClN2 and a molecular weight of 190.63 g/mol. Its IUPAC name is 2-chloro-5-phenylpyrazine.

Molecular Properties

Compound Name2-chloro-5-phenylpyrazine
PubChem CID1236664
Molecular FormulaC10H7ClN2
Molecular Weight190.63 g/mol
Exact Mass190.03
IUPAC Name2-chloro-5-phenylpyrazine
SMILESClc1cnc(-c2ccccc2)cn1
InChIInChI=1S/C10H7ClN2/c11-10-7-12-9(6-13-10)8-4-2-1-3-5-8/h1-7H
InChIKeyIKWXPYFPNVAWJY-UHFFFAOYSA-N
XLogP2.80
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.63
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-phenylpyrazine?
The IUPAC name of 2-chloro-5-phenylpyrazine (CID 1236664) is 2-chloro-5-phenylpyrazine.
What is the SMILES notation for 2-chloro-5-phenylpyrazine?
The canonical SMILES for 2-chloro-5-phenylpyrazine is Clc1cnc(-c2ccccc2)cn1.
What is the InChIKey of 2-chloro-5-phenylpyrazine?
The InChIKey is IKWXPYFPNVAWJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN2/c11-10-7-12-9(6-13-10)8-4-2-1-3-5-8/h1-7H.
What are the key properties of 2-chloro-5-phenylpyrazine?
2-chloro-5-phenylpyrazine has a molecular weight of 190.63 g/mol, XLogP of 2.80, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-phenylpyrazine is sourced from PubChem (CID 1236664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).