3-chloro-7-(1-chloropiperidin-4-yl)imidazo[1,5-a]pyridine

C12H13Cl2N3 — CID 90066735

IUPAC3-chloro-7-(1-chloropiperidin-4-yl)imidazo[1,5-a]pyridine
SMILESClc1ncc2cc(C3CCN(Cl)CC3)ccn12
InChIInChI=1S/C12H13Cl2N3/c13-12-15-8-11-7-10(3-6-17(11)12)9-1-4-16(14)5-2-9/h3,6-9H,1-2,4-5H2
InChIKeyMHSXTVKLSIZOBY-UHFFFAOYSA-N
MW270.16 g/mol
LogP3.32
Rot. Bonds1

About 3-chloro-7-(1-chloropiperidin-4-yl)imidazo[1,5-a]pyridine

3-chloro-7-(1-chloropiperidin-4-yl)imidazo[1,5-a]pyridine (PubChem CID 90066735) has the molecular formula C12H13Cl2N3 and a molecular weight of 270.16 g/mol. Its IUPAC name is 3-chloro-7-(1-chloropiperidin-4-yl)imidazo[1,5-a]pyridine.

Molecular Properties

Compound Name3-chloro-7-(1-chloropiperidin-4-yl)imidazo[1,5-a]pyridine
PubChem CID90066735
Molecular FormulaC12H13Cl2N3
Molecular Weight270.16 g/mol
Exact Mass269.05
IUPAC Name3-chloro-7-(1-chloropiperidin-4-yl)imidazo[1,5-a]pyridine
SMILESClc1ncc2cc(C3CCN(Cl)CC3)ccn12
InChIInChI=1S/C12H13Cl2N3/c13-12-15-8-11-7-10(3-6-17(11)12)9-1-4-16(14)5-2-9/h3,6-9H,1-2,4-5H2
InChIKeyMHSXTVKLSIZOBY-UHFFFAOYSA-N
XLogP3.32
TPSA20.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.16
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-7-(1-chloropiperidin-4-yl)imidazo[1,5-a]pyridine?
The IUPAC name of 3-chloro-7-(1-chloropiperidin-4-yl)imidazo[1,5-a]pyridine (CID 90066735) is 3-chloro-7-(1-chloropiperidin-4-yl)imidazo[1,5-a]pyridine.
What is the SMILES notation for 3-chloro-7-(1-chloropiperidin-4-yl)imidazo[1,5-a]pyridine?
The canonical SMILES for 3-chloro-7-(1-chloropiperidin-4-yl)imidazo[1,5-a]pyridine is Clc1ncc2cc(C3CCN(Cl)CC3)ccn12.
What is the InChIKey of 3-chloro-7-(1-chloropiperidin-4-yl)imidazo[1,5-a]pyridine?
The InChIKey is MHSXTVKLSIZOBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2N3/c13-12-15-8-11-7-10(3-6-17(11)12)9-1-4-16(14)5-2-9/h3,6-9H,1-2,4-5H2.
What are the key properties of 3-chloro-7-(1-chloropiperidin-4-yl)imidazo[1,5-a]pyridine?
3-chloro-7-(1-chloropiperidin-4-yl)imidazo[1,5-a]pyridine has a molecular weight of 270.16 g/mol, XLogP of 3.32, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-7-(1-chloropiperidin-4-yl)imidazo[1,5-a]pyridine is sourced from PubChem (CID 90066735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).