3-(2-chloropyrimidin-4-yl)-1-methylindole

C13H10ClN3 — CID 59743595

IUPAC3-(2-chloropyrimidin-4-yl)-1-methylindole
SMILESCn1cc(-c2ccnc(Cl)n2)c2ccccc21
InChIInChI=1S/C13H10ClN3/c1-17-8-10(9-4-2-3-5-12(9)17)11-6-7-15-13(14)16-11/h2-8H,1H3
InChIKeyIIBWXYHPBMUNJP-UHFFFAOYSA-N
MW243.70 g/mol
LogP3.29
Rot. Bonds1

About 3-(2-chloropyrimidin-4-yl)-1-methylindole

3-(2-chloropyrimidin-4-yl)-1-methylindole (PubChem CID 59743595) has the molecular formula C13H10ClN3 and a molecular weight of 243.70 g/mol. Its IUPAC name is 3-(2-chloropyrimidin-4-yl)-1-methylindole.

Molecular Properties

Compound Name3-(2-chloropyrimidin-4-yl)-1-methylindole
PubChem CID59743595
Molecular FormulaC13H10ClN3
Molecular Weight243.70 g/mol
Exact Mass243.06
IUPAC Name3-(2-chloropyrimidin-4-yl)-1-methylindole
SMILESCn1cc(-c2ccnc(Cl)n2)c2ccccc21
InChIInChI=1S/C13H10ClN3/c1-17-8-10(9-4-2-3-5-12(9)17)11-6-7-15-13(14)16-11/h2-8H,1H3
InChIKeyIIBWXYHPBMUNJP-UHFFFAOYSA-N
XLogP3.29
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.70
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chloropyrimidin-4-yl)-1-methylindole?
The IUPAC name of 3-(2-chloropyrimidin-4-yl)-1-methylindole (CID 59743595) is 3-(2-chloropyrimidin-4-yl)-1-methylindole.
What is the SMILES notation for 3-(2-chloropyrimidin-4-yl)-1-methylindole?
The canonical SMILES for 3-(2-chloropyrimidin-4-yl)-1-methylindole is Cn1cc(-c2ccnc(Cl)n2)c2ccccc21.
What is the InChIKey of 3-(2-chloropyrimidin-4-yl)-1-methylindole?
The InChIKey is IIBWXYHPBMUNJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3/c1-17-8-10(9-4-2-3-5-12(9)17)11-6-7-15-13(14)16-11/h2-8H,1H3.
What are the key properties of 3-(2-chloropyrimidin-4-yl)-1-methylindole?
3-(2-chloropyrimidin-4-yl)-1-methylindole has a molecular weight of 243.70 g/mol, XLogP of 3.29, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloropyrimidin-4-yl)-1-methylindole is sourced from PubChem (CID 59743595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).