5-chloro-1-[(6-methyl-2-pyridinyl)methyl]indole

C15H13ClN2 — CID 116623121

IUPAC5-chloro-1-[(6-methyl-2-pyridinyl)methyl]indole
SMILESCc1cccc(Cn2ccc3cc(Cl)ccc32)n1
InChIInChI=1S/C15H13ClN2/c1-11-3-2-4-14(17-11)10-18-8-7-12-9-13(16)5-6-15(12)18/h2-9H,10H2,1H3
InChIKeyMZTACWCKJFOTGK-UHFFFAOYSA-N
MW256.74 g/mol
LogP4.05
Rot. Bonds2

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

5-chloro-1-[(6-methyl-2-pyridinyl)methyl]indole (PubChem CID 116623121) has the molecular formula C15H13ClN2 and a molecular weight of 256.74 g/mol. Its IUPAC name is 5-chloro-1-[(6-methyl-2-pyridinyl)methyl]indole.

Molecular Properties

Compound Name5-chloro-1-[(6-methyl-2-pyridinyl)methyl]indole
PubChem CID116623121
Molecular FormulaC15H13ClN2
Molecular Weight256.74 g/mol
Exact Mass256.08
IUPAC Name5-chloro-1-[(6-methyl-2-pyridinyl)methyl]indole
SMILESCc1cccc(Cn2ccc3cc(Cl)ccc32)n1
InChIInChI=1S/C15H13ClN2/c1-11-3-2-4-14(17-11)10-18-8-7-12-9-13(16)5-6-15(12)18/h2-9H,10H2,1H3
InChIKeyMZTACWCKJFOTGK-UHFFFAOYSA-N
XLogP4.05
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.74
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-chloro-1-[(6-methyl-2-pyridinyl)methyl]indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[(6-methyl-2-pyridinyl)methyl]indole?
The IUPAC name of 5-chloro-1-[(6-methyl-2-pyridinyl)methyl]indole (CID 116623121) is 5-chloro-1-[(6-methyl-2-pyridinyl)methyl]indole.
What is the SMILES notation for 5-chloro-1-[(6-methyl-2-pyridinyl)methyl]indole?
The canonical SMILES for 5-chloro-1-[(6-methyl-2-pyridinyl)methyl]indole is Cc1cccc(Cn2ccc3cc(Cl)ccc32)n1.
What is the InChIKey of 5-chloro-1-[(6-methyl-2-pyridinyl)methyl]indole?
The InChIKey is MZTACWCKJFOTGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2/c1-11-3-2-4-14(17-11)10-18-8-7-12-9-13(16)5-6-15(12)18/h2-9H,10H2,1H3.
What are the key properties of 5-chloro-1-[(6-methyl-2-pyridinyl)methyl]indole?
5-chloro-1-[(6-methyl-2-pyridinyl)methyl]indole has a molecular weight of 256.74 g/mol, XLogP of 4.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[(6-methyl-2-pyridinyl)methyl]indole is sourced from PubChem (CID 116623121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).