8-chloro-3-(cyclopropylmethyl)-7-iodo-[1,2,4]triazolo[4,3-a]pyridine

C10H9ClIN3 — CID 66785913

IUPAC8-chloro-3-(cyclopropylmethyl)-7-iodo-[1,2,4]triazolo[4,3-a]pyridine
SMILESClc1c(I)ccn2c(CC3CC3)nnc12
InChIInChI=1S/C10H9ClIN3/c11-9-7(12)3-4-15-8(5-6-1-2-6)13-14-10(9)15/h3-4,6H,1-2,5H2
InChIKeyCCQJDLKPXUKVSL-UHFFFAOYSA-N
MW333.56 g/mol
LogP2.94
Rot. Bonds2

About 8-chloro-3-(cyclopropylmethyl)-7-iodo-[1,2,4]triazolo[4,3-a]pyridine

8-chloro-3-(cyclopropylmethyl)-7-iodo-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 66785913) has the molecular formula C10H9ClIN3 and a molecular weight of 333.56 g/mol. Its IUPAC name is 8-chloro-3-(cyclopropylmethyl)-7-iodo-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name8-chloro-3-(cyclopropylmethyl)-7-iodo-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID66785913
Molecular FormulaC10H9ClIN3
Molecular Weight333.56 g/mol
Exact Mass332.95
IUPAC Name8-chloro-3-(cyclopropylmethyl)-7-iodo-[1,2,4]triazolo[4,3-a]pyridine
SMILESClc1c(I)ccn2c(CC3CC3)nnc12
InChIInChI=1S/C10H9ClIN3/c11-9-7(12)3-4-15-8(5-6-1-2-6)13-14-10(9)15/h3-4,6H,1-2,5H2
InChIKeyCCQJDLKPXUKVSL-UHFFFAOYSA-N
XLogP2.94
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.56
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-3-(cyclopropylmethyl)-7-iodo-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 8-chloro-3-(cyclopropylmethyl)-7-iodo-[1,2,4]triazolo[4,3-a]pyridine (CID 66785913) is 8-chloro-3-(cyclopropylmethyl)-7-iodo-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 8-chloro-3-(cyclopropylmethyl)-7-iodo-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 8-chloro-3-(cyclopropylmethyl)-7-iodo-[1,2,4]triazolo[4,3-a]pyridine is Clc1c(I)ccn2c(CC3CC3)nnc12.
What is the InChIKey of 8-chloro-3-(cyclopropylmethyl)-7-iodo-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is CCQJDLKPXUKVSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClIN3/c11-9-7(12)3-4-15-8(5-6-1-2-6)13-14-10(9)15/h3-4,6H,1-2,5H2.
What are the key properties of 8-chloro-3-(cyclopropylmethyl)-7-iodo-[1,2,4]triazolo[4,3-a]pyridine?
8-chloro-3-(cyclopropylmethyl)-7-iodo-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 333.56 g/mol, XLogP of 2.94, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-3-(cyclopropylmethyl)-7-iodo-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 66785913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).