3-iodo-1-methyl-5-(5-methylpyrimidin-2-yl)indole

C14H12IN3 — CID 137376067

IUPAC3-iodo-1-methyl-5-(5-methylpyrimidin-2-yl)indole
SMILESCc1cnc(-c2ccc3c(c2)c(I)cn3C)nc1
InChIInChI=1S/C14H12IN3/c1-9-6-16-14(17-7-9)10-3-4-13-11(5-10)12(15)8-18(13)2/h3-8H,1-2H3
InChIKeyRVIPIUPTFNFDTF-UHFFFAOYSA-N
MW349.18 g/mol
LogP3.55
Rot. Bonds1

About 3-iodo-1-methyl-5-(5-methylpyrimidin-2-yl)indole

3-iodo-1-methyl-5-(5-methylpyrimidin-2-yl)indole (PubChem CID 137376067) has the molecular formula C14H12IN3 and a molecular weight of 349.18 g/mol. Its IUPAC name is 3-iodo-1-methyl-5-(5-methylpyrimidin-2-yl)indole.

Molecular Properties

Compound Name3-iodo-1-methyl-5-(5-methylpyrimidin-2-yl)indole
PubChem CID137376067
Molecular FormulaC14H12IN3
Molecular Weight349.18 g/mol
Exact Mass349.01
IUPAC Name3-iodo-1-methyl-5-(5-methylpyrimidin-2-yl)indole
SMILESCc1cnc(-c2ccc3c(c2)c(I)cn3C)nc1
InChIInChI=1S/C14H12IN3/c1-9-6-16-14(17-7-9)10-3-4-13-11(5-10)12(15)8-18(13)2/h3-8H,1-2H3
InChIKeyRVIPIUPTFNFDTF-UHFFFAOYSA-N
XLogP3.55
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.18
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 3-iodo-1-methyl-5-(5-methylpyrimidin-2-yl)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 3-iodo-1-methyl-5-(5-methylpyrimidin-2-yl)indole?
The IUPAC name of 3-iodo-1-methyl-5-(5-methylpyrimidin-2-yl)indole (CID 137376067) is 3-iodo-1-methyl-5-(5-methylpyrimidin-2-yl)indole.
What is the SMILES notation for 3-iodo-1-methyl-5-(5-methylpyrimidin-2-yl)indole?
The canonical SMILES for 3-iodo-1-methyl-5-(5-methylpyrimidin-2-yl)indole is Cc1cnc(-c2ccc3c(c2)c(I)cn3C)nc1.
What is the InChIKey of 3-iodo-1-methyl-5-(5-methylpyrimidin-2-yl)indole?
The InChIKey is RVIPIUPTFNFDTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12IN3/c1-9-6-16-14(17-7-9)10-3-4-13-11(5-10)12(15)8-18(13)2/h3-8H,1-2H3.
What are the key properties of 3-iodo-1-methyl-5-(5-methylpyrimidin-2-yl)indole?
3-iodo-1-methyl-5-(5-methylpyrimidin-2-yl)indole has a molecular weight of 349.18 g/mol, XLogP of 3.55, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-1-methyl-5-(5-methylpyrimidin-2-yl)indole is sourced from PubChem (CID 137376067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).