5-chloro-3-methoxy-6-methylpyrazine-2-carbonitrile

C7H6ClN3O — CID 118653036

IUPAC5-chloro-3-methoxy-6-methylpyrazine-2-carbonitrile
SMILESCOc1nc(Cl)c(C)nc1C#N
InChIInChI=1S/C7H6ClN3O/c1-4-6(8)11-7(12-2)5(3-9)10-4/h1-2H3
InChIKeyFQYUWUUKDFRWLQ-UHFFFAOYSA-N
MW183.60 g/mol
LogP1.32
Rot. Bonds1

About 5-chloro-3-methoxy-6-methylpyrazine-2-carbonitrile

5-chloro-3-methoxy-6-methylpyrazine-2-carbonitrile (PubChem CID 118653036) has the molecular formula C7H6ClN3O and a molecular weight of 183.60 g/mol. Its IUPAC name is 5-chloro-3-methoxy-6-methylpyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-chloro-3-methoxy-6-methylpyrazine-2-carbonitrile
PubChem CID118653036
Molecular FormulaC7H6ClN3O
Molecular Weight183.60 g/mol
Exact Mass183.02
IUPAC Name5-chloro-3-methoxy-6-methylpyrazine-2-carbonitrile
SMILESCOc1nc(Cl)c(C)nc1C#N
InChIInChI=1S/C7H6ClN3O/c1-4-6(8)11-7(12-2)5(3-9)10-4/h1-2H3
InChIKeyFQYUWUUKDFRWLQ-UHFFFAOYSA-N
XLogP1.32
TPSA58.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.60
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-6-methoxy-3-methyl-5-[2-(4-methylphenyl)ethynyl]pyrazine
CID 46177924
5-amino-6-methoxypyrazine-2,3-dicarbonitrile
CID 82254069
4-methoxy-1,2,5-oxadiazole-3-carbonitrile
CID 82418880
2-chloro-5-(2,4-dichlorophenyl)-6-methoxy-3-methylpyrazine
CID 46177844
5-amino-6-methylpyrazine-2,3-dicarbonitrile
CID 71440315
2,4-dichloro-6-methoxy-5-methylpyrimidine
CID 118141128
3-chloro-4-methoxy-5-methylpyridine-2-carbonitrile
CID 155138707
6-chloro-3-(difluoromethyl)-5-methoxypyridine-2-carbonitrile
CID 119010171
2-chloro-5-methoxy-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile
CID 13408084
5,8-dichloro-3-[(4-methoxyphenyl)methoxy]quinoxaline-2-carbonitrile
CID 66572971
3-methoxy-5-[(3,5,6-trichloro-2-pyridinyl)oxy]benzonitrile
CID 103566717
3,4,5,6-tetrachloropyridine-2-carbonitrile
CID 141345304

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-methoxy-6-methylpyrazine-2-carbonitrile?
The IUPAC name of 5-chloro-3-methoxy-6-methylpyrazine-2-carbonitrile (CID 118653036) is 5-chloro-3-methoxy-6-methylpyrazine-2-carbonitrile.
What is the SMILES notation for 5-chloro-3-methoxy-6-methylpyrazine-2-carbonitrile?
The canonical SMILES for 5-chloro-3-methoxy-6-methylpyrazine-2-carbonitrile is COc1nc(Cl)c(C)nc1C#N.
What is the InChIKey of 5-chloro-3-methoxy-6-methylpyrazine-2-carbonitrile?
The InChIKey is FQYUWUUKDFRWLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClN3O/c1-4-6(8)11-7(12-2)5(3-9)10-4/h1-2H3.
What are the key properties of 5-chloro-3-methoxy-6-methylpyrazine-2-carbonitrile?
5-chloro-3-methoxy-6-methylpyrazine-2-carbonitrile has a molecular weight of 183.60 g/mol, XLogP of 1.32, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-methoxy-6-methylpyrazine-2-carbonitrile is sourced from PubChem (CID 118653036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).