2-chloro-5-[(3-methoxyphenyl)methoxymethyl]pyrazine

C13H13ClN2O2 — CID 103054759

IUPAC2-chloro-5-[(3-methoxyphenyl)methoxymethyl]pyrazine
SMILESCOc1cccc(COCc2cnc(Cl)cn2)c1
InChIInChI=1S/C13H13ClN2O2/c1-17-12-4-2-3-10(5-12)8-18-9-11-6-16-13(14)7-15-11/h2-7H,8-9H2,1H3
InChIKeyVBXSZAZBZCQNFR-UHFFFAOYSA-N
MW264.71 g/mol
LogP2.86
Rot. Bonds5

About 2-chloro-5-[(3-methoxyphenyl)methoxymethyl]pyrazine

2-chloro-5-[(3-methoxyphenyl)methoxymethyl]pyrazine (PubChem CID 103054759) has the molecular formula C13H13ClN2O2 and a molecular weight of 264.71 g/mol. Its IUPAC name is 2-chloro-5-[(3-methoxyphenyl)methoxymethyl]pyrazine.

Molecular Properties

Compound Name2-chloro-5-[(3-methoxyphenyl)methoxymethyl]pyrazine
PubChem CID103054759
Molecular FormulaC13H13ClN2O2
Molecular Weight264.71 g/mol
Exact Mass264.07
IUPAC Name2-chloro-5-[(3-methoxyphenyl)methoxymethyl]pyrazine
SMILESCOc1cccc(COCc2cnc(Cl)cn2)c1
InChIInChI=1S/C13H13ClN2O2/c1-17-12-4-2-3-10(5-12)8-18-9-11-6-16-13(14)7-15-11/h2-7H,8-9H2,1H3
InChIKeyVBXSZAZBZCQNFR-UHFFFAOYSA-N
XLogP2.86
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.71
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(3-methoxyphenyl)methoxymethyl]pyridin-2-amine
CID 79240022
2-(chloromethyl)-5-[(3-methoxyphenyl)methoxy]pyridine
CID 79799843
2,5-bis[(3-methoxyphenyl)methyl]pyridine
CID 91067305
3-bromo-5-[(3-methoxyphenyl)methoxymethyl]pyridine
CID 113455706
[5-[(3-methoxyphenyl)methoxy]-2-pyridinyl]methanamine
CID 79775923
3-chloro-6-[(3-methoxyphenyl)methoxy]pyridazine
CID 24702532
1-(2,2-difluoroethoxymethyl)-3-methoxybenzene
CID 88878889
1-chloro-3-[(3-methoxyphenyl)methoxy]benzene
CID 60627845
2-[(3-methoxyphenyl)methoxy]ethanamine;hydrochloride
CID 71757143
(3-methoxyphenyl)methyl 2,5-dichloropyridine-4-carboxylate
CID 114929160
N-ethyl-5-[(3-methoxyphenyl)methoxymethyl]pyridin-2-amine
CID 62195783
2-[(3-methoxyphenyl)methoxymethyl]-N-propylpyridin-4-amine
CID 79245756

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(3-methoxyphenyl)methoxymethyl]pyrazine?
The IUPAC name of 2-chloro-5-[(3-methoxyphenyl)methoxymethyl]pyrazine (CID 103054759) is 2-chloro-5-[(3-methoxyphenyl)methoxymethyl]pyrazine.
What is the SMILES notation for 2-chloro-5-[(3-methoxyphenyl)methoxymethyl]pyrazine?
The canonical SMILES for 2-chloro-5-[(3-methoxyphenyl)methoxymethyl]pyrazine is COc1cccc(COCc2cnc(Cl)cn2)c1.
What is the InChIKey of 2-chloro-5-[(3-methoxyphenyl)methoxymethyl]pyrazine?
The InChIKey is VBXSZAZBZCQNFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2/c1-17-12-4-2-3-10(5-12)8-18-9-11-6-16-13(14)7-15-11/h2-7H,8-9H2,1H3.
What are the key properties of 2-chloro-5-[(3-methoxyphenyl)methoxymethyl]pyrazine?
2-chloro-5-[(3-methoxyphenyl)methoxymethyl]pyrazine has a molecular weight of 264.71 g/mol, XLogP of 2.86, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(3-methoxyphenyl)methoxymethyl]pyrazine is sourced from PubChem (CID 103054759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).