2-chloro-6-[(3-phenoxythiophen-2-yl)methoxy]pyrazine

C15H11ClN2O2S — CID 18186860

IUPAC2-chloro-6-[(3-phenoxythiophen-2-yl)methoxy]pyrazine
SMILESClc1cncc(OCc2sccc2Oc2ccccc2)n1
InChIInChI=1S/C15H11ClN2O2S/c16-14-8-17-9-15(18-14)19-10-13-12(6-7-21-13)20-11-4-2-1-3-5-11/h1-9H,10H2
InChIKeyPNAKXXOOBMKSPA-UHFFFAOYSA-N
MW318.79 g/mol
LogP4.56
Rot. Bonds5

About 2-chloro-6-[(3-phenoxythiophen-2-yl)methoxy]pyrazine

2-chloro-6-[(3-phenoxythiophen-2-yl)methoxy]pyrazine (PubChem CID 18186860) has the molecular formula C15H11ClN2O2S and a molecular weight of 318.79 g/mol. Its IUPAC name is 2-chloro-6-[(3-phenoxythiophen-2-yl)methoxy]pyrazine.

Molecular Properties

Compound Name2-chloro-6-[(3-phenoxythiophen-2-yl)methoxy]pyrazine
PubChem CID18186860
Molecular FormulaC15H11ClN2O2S
Molecular Weight318.79 g/mol
Exact Mass318.02
IUPAC Name2-chloro-6-[(3-phenoxythiophen-2-yl)methoxy]pyrazine
SMILESClc1cncc(OCc2sccc2Oc2ccccc2)n1
InChIInChI=1S/C15H11ClN2O2S/c16-14-8-17-9-15(18-14)19-10-13-12(6-7-21-13)20-11-4-2-1-3-5-11/h1-9H,10H2
InChIKeyPNAKXXOOBMKSPA-UHFFFAOYSA-N
XLogP4.56
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.79
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[(3-phenoxythiophen-2-yl)methoxy]pyrazine?
The IUPAC name of 2-chloro-6-[(3-phenoxythiophen-2-yl)methoxy]pyrazine (CID 18186860) is 2-chloro-6-[(3-phenoxythiophen-2-yl)methoxy]pyrazine.
What is the SMILES notation for 2-chloro-6-[(3-phenoxythiophen-2-yl)methoxy]pyrazine?
The canonical SMILES for 2-chloro-6-[(3-phenoxythiophen-2-yl)methoxy]pyrazine is Clc1cncc(OCc2sccc2Oc2ccccc2)n1.
What is the InChIKey of 2-chloro-6-[(3-phenoxythiophen-2-yl)methoxy]pyrazine?
The InChIKey is PNAKXXOOBMKSPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O2S/c16-14-8-17-9-15(18-14)19-10-13-12(6-7-21-13)20-11-4-2-1-3-5-11/h1-9H,10H2.
What are the key properties of 2-chloro-6-[(3-phenoxythiophen-2-yl)methoxy]pyrazine?
2-chloro-6-[(3-phenoxythiophen-2-yl)methoxy]pyrazine has a molecular weight of 318.79 g/mol, XLogP of 4.56, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[(3-phenoxythiophen-2-yl)methoxy]pyrazine is sourced from PubChem (CID 18186860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).