4-chloro-7-(5-methylpyrazin-2-yl)-1H-indole

C13H10ClN3 — CID 178072896

IUPAC4-chloro-7-(5-methylpyrazin-2-yl)-1H-indole
SMILESCc1cnc(-c2ccc(Cl)c3cc[nH]c23)cn1
InChIInChI=1S/C13H10ClN3/c1-8-6-17-12(7-16-8)10-2-3-11(14)9-4-5-15-13(9)10/h2-7,15H,1H3
InChIKeyAODUUUDKRHROOA-UHFFFAOYSA-N
MW243.70 g/mol
LogP3.59
Rot. Bonds1

About 4-chloro-7-(5-methylpyrazin-2-yl)-1H-indole

4-chloro-7-(5-methylpyrazin-2-yl)-1H-indole (PubChem CID 178072896) has the molecular formula C13H10ClN3 and a molecular weight of 243.70 g/mol. Its IUPAC name is 4-chloro-7-(5-methylpyrazin-2-yl)-1H-indole.

Molecular Properties

Compound Name4-chloro-7-(5-methylpyrazin-2-yl)-1H-indole
PubChem CID178072896
Molecular FormulaC13H10ClN3
Molecular Weight243.70 g/mol
Exact Mass243.06
IUPAC Name4-chloro-7-(5-methylpyrazin-2-yl)-1H-indole
SMILESCc1cnc(-c2ccc(Cl)c3cc[nH]c23)cn1
InChIInChI=1S/C13H10ClN3/c1-8-6-17-12(7-16-8)10-2-3-11(14)9-4-5-15-13(9)10/h2-7,15H,1H3
InChIKeyAODUUUDKRHROOA-UHFFFAOYSA-N
XLogP3.59
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.70
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-7-(5-methylpyrazin-2-yl)-1H-indole?
The IUPAC name of 4-chloro-7-(5-methylpyrazin-2-yl)-1H-indole (CID 178072896) is 4-chloro-7-(5-methylpyrazin-2-yl)-1H-indole.
What is the SMILES notation for 4-chloro-7-(5-methylpyrazin-2-yl)-1H-indole?
The canonical SMILES for 4-chloro-7-(5-methylpyrazin-2-yl)-1H-indole is Cc1cnc(-c2ccc(Cl)c3cc[nH]c23)cn1.
What is the InChIKey of 4-chloro-7-(5-methylpyrazin-2-yl)-1H-indole?
The InChIKey is AODUUUDKRHROOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3/c1-8-6-17-12(7-16-8)10-2-3-11(14)9-4-5-15-13(9)10/h2-7,15H,1H3.
What are the key properties of 4-chloro-7-(5-methylpyrazin-2-yl)-1H-indole?
4-chloro-7-(5-methylpyrazin-2-yl)-1H-indole has a molecular weight of 243.70 g/mol, XLogP of 3.59, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-7-(5-methylpyrazin-2-yl)-1H-indole is sourced from PubChem (CID 178072896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).