2-chloro-6-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-[1,2,4]triazolo[1,5-a]pyridine

C11H10ClFN4 — CID 178122735

IUPAC2-chloro-6-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESFC1=CCCN(c2ccc3nc(Cl)nn3c2)C1
InChIInChI=1S/C11H10ClFN4/c12-11-14-10-4-3-9(7-17(10)15-11)16-5-1-2-8(13)6-16/h2-4,7H,1,5-6H2
InChIKeyRJZNFNSQGHHZRG-UHFFFAOYSA-N
MW252.68 g/mol
LogP2.45
Rot. Bonds1

About 2-chloro-6-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-[1,2,4]triazolo[1,5-a]pyridine

2-chloro-6-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 178122735) has the molecular formula C11H10ClFN4 and a molecular weight of 252.68 g/mol. Its IUPAC name is 2-chloro-6-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name2-chloro-6-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID178122735
Molecular FormulaC11H10ClFN4
Molecular Weight252.68 g/mol
Exact Mass252.06
IUPAC Name2-chloro-6-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESFC1=CCCN(c2ccc3nc(Cl)nn3c2)C1
InChIInChI=1S/C11H10ClFN4/c12-11-14-10-4-3-9(7-17(10)15-11)16-5-1-2-8(13)6-16/h2-4,7H,1,5-6H2
InChIKeyRJZNFNSQGHHZRG-UHFFFAOYSA-N
XLogP2.45
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.68
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 2-chloro-6-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-[1,2,4]triazolo[1,5-a]pyridine (CID 178122735) is 2-chloro-6-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 2-chloro-6-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 2-chloro-6-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-[1,2,4]triazolo[1,5-a]pyridine is FC1=CCCN(c2ccc3nc(Cl)nn3c2)C1.
What is the InChIKey of 2-chloro-6-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is RJZNFNSQGHHZRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFN4/c12-11-14-10-4-3-9(7-17(10)15-11)16-5-1-2-8(13)6-16/h2-4,7H,1,5-6H2.
What are the key properties of 2-chloro-6-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-[1,2,4]triazolo[1,5-a]pyridine?
2-chloro-6-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 252.68 g/mol, XLogP of 2.45, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 178122735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).