2-chloro-6-[(2S)-2-(4-methylphenyl)propyl]pyrazine

C14H15ClN2 — CID 58217186

IUPAC2-chloro-6-[(2S)-2-(4-methylphenyl)propyl]pyrazine
SMILESCc1ccc([C@@H](C)Cc2cncc(Cl)n2)cc1
InChIInChI=1S/C14H15ClN2/c1-10-3-5-12(6-4-10)11(2)7-13-8-16-9-14(15)17-13/h3-6,8-9,11H,7H2,1-2H3/t11-/m0/s1
InChIKeyKDRHJPPDTSGVKY-NSHDSACASA-N
MW246.74 g/mol
LogP3.78
Rot. Bonds3

About 2-chloro-6-[(2S)-2-(4-methylphenyl)propyl]pyrazine

2-chloro-6-[(2S)-2-(4-methylphenyl)propyl]pyrazine (PubChem CID 58217186) has the molecular formula C14H15ClN2 and a molecular weight of 246.74 g/mol. Its IUPAC name is 2-chloro-6-[(2S)-2-(4-methylphenyl)propyl]pyrazine.

Molecular Properties

Compound Name2-chloro-6-[(2S)-2-(4-methylphenyl)propyl]pyrazine
PubChem CID58217186
Molecular FormulaC14H15ClN2
Molecular Weight246.74 g/mol
Exact Mass246.09
IUPAC Name2-chloro-6-[(2S)-2-(4-methylphenyl)propyl]pyrazine
SMILESCc1ccc([C@@H](C)Cc2cncc(Cl)n2)cc1
InChIInChI=1S/C14H15ClN2/c1-10-3-5-12(6-4-10)11(2)7-13-8-16-9-14(15)17-13/h3-6,8-9,11H,7H2,1-2H3/t11-/m0/s1
InChIKeyKDRHJPPDTSGVKY-NSHDSACASA-N
XLogP3.78
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.74
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[(2S)-2-(4-methylphenyl)propyl]pyrazine?
The IUPAC name of 2-chloro-6-[(2S)-2-(4-methylphenyl)propyl]pyrazine (CID 58217186) is 2-chloro-6-[(2S)-2-(4-methylphenyl)propyl]pyrazine.
What is the SMILES notation for 2-chloro-6-[(2S)-2-(4-methylphenyl)propyl]pyrazine?
The canonical SMILES for 2-chloro-6-[(2S)-2-(4-methylphenyl)propyl]pyrazine is Cc1ccc([C@@H](C)Cc2cncc(Cl)n2)cc1.
What is the InChIKey of 2-chloro-6-[(2S)-2-(4-methylphenyl)propyl]pyrazine?
The InChIKey is KDRHJPPDTSGVKY-NSHDSACASA-N. The full InChI is InChI=1S/C14H15ClN2/c1-10-3-5-12(6-4-10)11(2)7-13-8-16-9-14(15)17-13/h3-6,8-9,11H,7H2,1-2H3/t11-/m0/s1.
What are the key properties of 2-chloro-6-[(2S)-2-(4-methylphenyl)propyl]pyrazine?
2-chloro-6-[(2S)-2-(4-methylphenyl)propyl]pyrazine has a molecular weight of 246.74 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[(2S)-2-(4-methylphenyl)propyl]pyrazine is sourced from PubChem (CID 58217186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).