2-chloro-3-(2-methylbutan-2-yl)pyrazine

C9H13ClN2 — CID 130847385

IUPAC2-chloro-3-(2-methylbutan-2-yl)pyrazine
SMILESCCC(C)(C)c1nccnc1Cl
InChIInChI=1S/C9H13ClN2/c1-4-9(2,3)7-8(10)12-6-5-11-7/h5-6H,4H2,1-3H3
InChIKeyUZCOOUIJFSULTH-UHFFFAOYSA-N
MW184.67 g/mol
LogP2.82
Rot. Bonds2

About 2-chloro-3-(2-methylbutan-2-yl)pyrazine

2-chloro-3-(2-methylbutan-2-yl)pyrazine (PubChem CID 130847385) has the molecular formula C9H13ClN2 and a molecular weight of 184.67 g/mol. Its IUPAC name is 2-chloro-3-(2-methylbutan-2-yl)pyrazine.

Molecular Properties

Compound Name2-chloro-3-(2-methylbutan-2-yl)pyrazine
PubChem CID130847385
Molecular FormulaC9H13ClN2
Molecular Weight184.67 g/mol
Exact Mass184.08
IUPAC Name2-chloro-3-(2-methylbutan-2-yl)pyrazine
SMILESCCC(C)(C)c1nccnc1Cl
InChIInChI=1S/C9H13ClN2/c1-4-9(2,3)7-8(10)12-6-5-11-7/h5-6H,4H2,1-3H3
InChIKeyUZCOOUIJFSULTH-UHFFFAOYSA-N
XLogP2.82
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.67
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chloropyrazin-2-yl)-2-cyanobutanoate
CID 71432032
5-chloro-2-(2-methylbutan-2-yl)pyridine-3-carbonitrile
CID 171648208
5-methyl-4-(2-methylbutan-2-yl)-1H-imidazole
CID 143089702
(3-chloropyrazin-2-yl)-trimethylsilane
CID 119083597
3-chloro-N-(2-methylidenebutyl)pyrazin-2-amine
CID 131187821
2-chloro-7-methyl-4-(2-methylbutan-2-yl)thieno[3,2-d]pyrimidine
CID 129143474
3-chloro-N-(2,2-diethoxyethyl)pyrazin-2-amine
CID 121204701
2-[(E)-but-1-enyl]-3-chloropyrazine
CID 134454771
3-chloro-N-(2-methylprop-2-enyl)pyrazin-2-amine
CID 106196773
1-[(3-chloropyrazin-2-yl)amino]propan-2-one
CID 15149679
2,3-dichloropyrazine;pyrazine
CID 173325977
2,3-bis(trichloromethyl)pyrazine
CID 141158483

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-(2-methylbutan-2-yl)pyrazine?
The IUPAC name of 2-chloro-3-(2-methylbutan-2-yl)pyrazine (CID 130847385) is 2-chloro-3-(2-methylbutan-2-yl)pyrazine.
What is the SMILES notation for 2-chloro-3-(2-methylbutan-2-yl)pyrazine?
The canonical SMILES for 2-chloro-3-(2-methylbutan-2-yl)pyrazine is CCC(C)(C)c1nccnc1Cl.
What is the InChIKey of 2-chloro-3-(2-methylbutan-2-yl)pyrazine?
The InChIKey is UZCOOUIJFSULTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2/c1-4-9(2,3)7-8(10)12-6-5-11-7/h5-6H,4H2,1-3H3.
What are the key properties of 2-chloro-3-(2-methylbutan-2-yl)pyrazine?
2-chloro-3-(2-methylbutan-2-yl)pyrazine has a molecular weight of 184.67 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(2-methylbutan-2-yl)pyrazine is sourced from PubChem (CID 130847385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).