1,3-dimethyl-2-pyridin-3-ylindole

C15H14N2 — CID 51032277

IUPAC1,3-dimethyl-2-pyridin-3-ylindole
SMILESCc1c(-c2cccnc2)n(C)c2ccccc12
InChIInChI=1S/C15H14N2/c1-11-13-7-3-4-8-14(13)17(2)15(11)12-6-5-9-16-10-12/h3-10H,1-2H3
InChIKeyOYMBIOMXTNJALB-UHFFFAOYSA-N
MW222.29 g/mol
LogP3.55
Rot. Bonds1

About 1,3-dimethyl-2-pyridin-3-ylindole

1,3-dimethyl-2-pyridin-3-ylindole (PubChem CID 51032277) has the molecular formula C15H14N2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 1,3-dimethyl-2-pyridin-3-ylindole.

Molecular Properties

Compound Name1,3-dimethyl-2-pyridin-3-ylindole
PubChem CID51032277
Molecular FormulaC15H14N2
Molecular Weight222.29 g/mol
Exact Mass222.12
IUPAC Name1,3-dimethyl-2-pyridin-3-ylindole
SMILESCc1c(-c2cccnc2)n(C)c2ccccc12
InChIInChI=1S/C15H14N2/c1-11-13-7-3-4-8-14(13)17(2)15(11)12-6-5-9-16-10-12/h3-10H,1-2H3
InChIKeyOYMBIOMXTNJALB-UHFFFAOYSA-N
XLogP3.55
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2-pyridin-3-ylindole?
The IUPAC name of 1,3-dimethyl-2-pyridin-3-ylindole (CID 51032277) is 1,3-dimethyl-2-pyridin-3-ylindole.
What is the SMILES notation for 1,3-dimethyl-2-pyridin-3-ylindole?
The canonical SMILES for 1,3-dimethyl-2-pyridin-3-ylindole is Cc1c(-c2cccnc2)n(C)c2ccccc12.
What is the InChIKey of 1,3-dimethyl-2-pyridin-3-ylindole?
The InChIKey is OYMBIOMXTNJALB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2/c1-11-13-7-3-4-8-14(13)17(2)15(11)12-6-5-9-16-10-12/h3-10H,1-2H3.
What are the key properties of 1,3-dimethyl-2-pyridin-3-ylindole?
1,3-dimethyl-2-pyridin-3-ylindole has a molecular weight of 222.29 g/mol, XLogP of 3.55, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2-pyridin-3-ylindole is sourced from PubChem (CID 51032277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).