4-[(5-chloropyrazin-2-yl)methoxy]-3-methoxybenzonitrile

C13H10ClN3O2 — CID 103054689

IUPAC4-[(5-chloropyrazin-2-yl)methoxy]-3-methoxybenzonitrile
SMILESCOc1cc(C#N)ccc1OCc1cnc(Cl)cn1
InChIInChI=1S/C13H10ClN3O2/c1-18-12-4-9(5-15)2-3-11(12)19-8-10-6-17-13(14)7-16-10/h2-4,6-7H,8H2,1H3
InChIKeyXJWQTJOHMDZGRS-UHFFFAOYSA-N
MW275.70 g/mol
LogP2.59
Rot. Bonds4

About 4-[(5-chloropyrazin-2-yl)methoxy]-3-methoxybenzonitrile

4-[(5-chloropyrazin-2-yl)methoxy]-3-methoxybenzonitrile (PubChem CID 103054689) has the molecular formula C13H10ClN3O2 and a molecular weight of 275.70 g/mol. Its IUPAC name is 4-[(5-chloropyrazin-2-yl)methoxy]-3-methoxybenzonitrile.

Molecular Properties

Compound Name4-[(5-chloropyrazin-2-yl)methoxy]-3-methoxybenzonitrile
PubChem CID103054689
Molecular FormulaC13H10ClN3O2
Molecular Weight275.70 g/mol
Exact Mass275.05
IUPAC Name4-[(5-chloropyrazin-2-yl)methoxy]-3-methoxybenzonitrile
SMILESCOc1cc(C#N)ccc1OCc1cnc(Cl)cn1
InChIInChI=1S/C13H10ClN3O2/c1-18-12-4-9(5-15)2-3-11(12)19-8-10-6-17-13(14)7-16-10/h2-4,6-7H,8H2,1H3
InChIKeyXJWQTJOHMDZGRS-UHFFFAOYSA-N
XLogP2.59
TPSA68.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.70
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[5-(ethylamino)pyrazin-2-yl]methoxy]-3-methoxybenzonitrile
CID 103058089
4-[(4-chlorophenyl)methoxy]-3-methoxybenzonitrile
CID 2240004
4-[(4-cyanophenyl)methoxy]-3-methoxybenzonitrile
CID 4808207
3-methoxy-4-[(6-methyl-2-pyridinyl)methoxy]benzonitrile
CID 79267517
4-[(6-amino-2-pyridinyl)methoxy]-3-methoxybenzonitrile
CID 79239685
3-[(6-chloro-2-pyridinyl)methoxy]-4-methylbenzonitrile
CID 103760415
2-chloro-5-[(2,5-dibromo-4-methoxyphenoxy)methyl]pyrazine
CID 103054885
4-(5-chloropentoxy)-3-methoxybenzonitrile
CID 43348380
4-methoxy-3-(pyridin-2-ylmethoxy)benzonitrile
CID 117053030
3-methoxy-4-[(5-methyl-3-pyridinyl)methoxy]benzonitrile
CID 102881171
4-[(4-cyano-2-methoxyphenoxy)methyl]-3-methylbenzonitrile
CID 114481463
4-[(5-bromo-2-pyridinyl)methoxy]-3-ethoxybenzonitrile
CID 104797266

Frequently Asked Questions

What is the IUPAC name of 4-[(5-chloropyrazin-2-yl)methoxy]-3-methoxybenzonitrile?
The IUPAC name of 4-[(5-chloropyrazin-2-yl)methoxy]-3-methoxybenzonitrile (CID 103054689) is 4-[(5-chloropyrazin-2-yl)methoxy]-3-methoxybenzonitrile.
What is the SMILES notation for 4-[(5-chloropyrazin-2-yl)methoxy]-3-methoxybenzonitrile?
The canonical SMILES for 4-[(5-chloropyrazin-2-yl)methoxy]-3-methoxybenzonitrile is COc1cc(C#N)ccc1OCc1cnc(Cl)cn1.
What is the InChIKey of 4-[(5-chloropyrazin-2-yl)methoxy]-3-methoxybenzonitrile?
The InChIKey is XJWQTJOHMDZGRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3O2/c1-18-12-4-9(5-15)2-3-11(12)19-8-10-6-17-13(14)7-16-10/h2-4,6-7H,8H2,1H3.
What are the key properties of 4-[(5-chloropyrazin-2-yl)methoxy]-3-methoxybenzonitrile?
4-[(5-chloropyrazin-2-yl)methoxy]-3-methoxybenzonitrile has a molecular weight of 275.70 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chloropyrazin-2-yl)methoxy]-3-methoxybenzonitrile is sourced from PubChem (CID 103054689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).