5-chloro-2-(2-chloropyrimidin-4-yl)-1H-indole

C12H7Cl2N3 — CID 162717915

IUPAC5-chloro-2-(2-chloropyrimidin-4-yl)-1H-indole
SMILESClc1ccc2[nH]c(-c3ccnc(Cl)n3)cc2c1
InChIInChI=1S/C12H7Cl2N3/c13-8-1-2-9-7(5-8)6-11(16-9)10-3-4-15-12(14)17-10/h1-6,16H
InChIKeyXALDLEMVYQHZGC-UHFFFAOYSA-N
MW264.12 g/mol
LogP3.93
Rot. Bonds1

About 5-chloro-2-(2-chloropyrimidin-4-yl)-1H-indole

5-chloro-2-(2-chloropyrimidin-4-yl)-1H-indole (PubChem CID 162717915) has the molecular formula C12H7Cl2N3 and a molecular weight of 264.12 g/mol. Its IUPAC name is 5-chloro-2-(2-chloropyrimidin-4-yl)-1H-indole.

Molecular Properties

Compound Name5-chloro-2-(2-chloropyrimidin-4-yl)-1H-indole
PubChem CID162717915
Molecular FormulaC12H7Cl2N3
Molecular Weight264.12 g/mol
Exact Mass263.00
IUPAC Name5-chloro-2-(2-chloropyrimidin-4-yl)-1H-indole
SMILESClc1ccc2[nH]c(-c3ccnc(Cl)n3)cc2c1
InChIInChI=1S/C12H7Cl2N3/c13-8-1-2-9-7(5-8)6-11(16-9)10-3-4-15-12(14)17-10/h1-6,16H
InChIKeyXALDLEMVYQHZGC-UHFFFAOYSA-N
XLogP3.93
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.12
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(2-chloropyrimidin-4-yl)-1H-indole?
The IUPAC name of 5-chloro-2-(2-chloropyrimidin-4-yl)-1H-indole (CID 162717915) is 5-chloro-2-(2-chloropyrimidin-4-yl)-1H-indole.
What is the SMILES notation for 5-chloro-2-(2-chloropyrimidin-4-yl)-1H-indole?
The canonical SMILES for 5-chloro-2-(2-chloropyrimidin-4-yl)-1H-indole is Clc1ccc2[nH]c(-c3ccnc(Cl)n3)cc2c1.
What is the InChIKey of 5-chloro-2-(2-chloropyrimidin-4-yl)-1H-indole?
The InChIKey is XALDLEMVYQHZGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2N3/c13-8-1-2-9-7(5-8)6-11(16-9)10-3-4-15-12(14)17-10/h1-6,16H.
What are the key properties of 5-chloro-2-(2-chloropyrimidin-4-yl)-1H-indole?
5-chloro-2-(2-chloropyrimidin-4-yl)-1H-indole has a molecular weight of 264.12 g/mol, XLogP of 3.93, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(2-chloropyrimidin-4-yl)-1H-indole is sourced from PubChem (CID 162717915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).