6-chloro-1-methyl-2-(5-methyl-3-pyridinyl)indole

C15H13ClN2 — CID 58215723

IUPAC6-chloro-1-methyl-2-(5-methyl-3-pyridinyl)indole
SMILESCc1cncc(-c2cc3ccc(Cl)cc3n2C)c1
InChIInChI=1S/C15H13ClN2/c1-10-5-12(9-17-8-10)14-6-11-3-4-13(16)7-15(11)18(14)2/h3-9H,1-2H3
InChIKeyHAOIIYGUJFQRAS-UHFFFAOYSA-N
MW256.74 g/mol
LogP4.20
Rot. Bonds1

About 6-chloro-1-methyl-2-(5-methyl-3-pyridinyl)indole

6-chloro-1-methyl-2-(5-methyl-3-pyridinyl)indole (PubChem CID 58215723) has the molecular formula C15H13ClN2 and a molecular weight of 256.74 g/mol. Its IUPAC name is 6-chloro-1-methyl-2-(5-methyl-3-pyridinyl)indole.

Molecular Properties

Compound Name6-chloro-1-methyl-2-(5-methyl-3-pyridinyl)indole
PubChem CID58215723
Molecular FormulaC15H13ClN2
Molecular Weight256.74 g/mol
Exact Mass256.08
IUPAC Name6-chloro-1-methyl-2-(5-methyl-3-pyridinyl)indole
SMILESCc1cncc(-c2cc3ccc(Cl)cc3n2C)c1
InChIInChI=1S/C15H13ClN2/c1-10-5-12(9-17-8-10)14-6-11-3-4-13(16)7-15(11)18(14)2/h3-9H,1-2H3
InChIKeyHAOIIYGUJFQRAS-UHFFFAOYSA-N
XLogP4.20
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.74
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-methyl-2-(5-methyl-3-pyridinyl)indole?
The IUPAC name of 6-chloro-1-methyl-2-(5-methyl-3-pyridinyl)indole (CID 58215723) is 6-chloro-1-methyl-2-(5-methyl-3-pyridinyl)indole.
What is the SMILES notation for 6-chloro-1-methyl-2-(5-methyl-3-pyridinyl)indole?
The canonical SMILES for 6-chloro-1-methyl-2-(5-methyl-3-pyridinyl)indole is Cc1cncc(-c2cc3ccc(Cl)cc3n2C)c1.
What is the InChIKey of 6-chloro-1-methyl-2-(5-methyl-3-pyridinyl)indole?
The InChIKey is HAOIIYGUJFQRAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2/c1-10-5-12(9-17-8-10)14-6-11-3-4-13(16)7-15(11)18(14)2/h3-9H,1-2H3.
What are the key properties of 6-chloro-1-methyl-2-(5-methyl-3-pyridinyl)indole?
6-chloro-1-methyl-2-(5-methyl-3-pyridinyl)indole has a molecular weight of 256.74 g/mol, XLogP of 4.20, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-methyl-2-(5-methyl-3-pyridinyl)indole is sourced from PubChem (CID 58215723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).