8-chloro-3-(furan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine

C11H8ClN3O — CID 117147341

IUPAC8-chloro-3-(furan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESClc1cccn2c(Cc3ccco3)nnc12
InChIInChI=1S/C11H8ClN3O/c12-9-4-1-5-15-10(13-14-11(9)15)7-8-3-2-6-16-8/h1-6H,7H2
InChIKeyUSMIZKYKTFTVBX-UHFFFAOYSA-N
MW233.66 g/mol
LogP2.57
Rot. Bonds2

About 8-chloro-3-(furan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine

8-chloro-3-(furan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 117147341) has the molecular formula C11H8ClN3O and a molecular weight of 233.66 g/mol. Its IUPAC name is 8-chloro-3-(furan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name8-chloro-3-(furan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID117147341
Molecular FormulaC11H8ClN3O
Molecular Weight233.66 g/mol
Exact Mass233.04
IUPAC Name8-chloro-3-(furan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESClc1cccn2c(Cc3ccco3)nnc12
InChIInChI=1S/C11H8ClN3O/c12-9-4-1-5-15-10(13-14-11(9)15)7-8-3-2-6-16-8/h1-6H,7H2
InChIKeyUSMIZKYKTFTVBX-UHFFFAOYSA-N
XLogP2.57
TPSA43.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.66
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(furan-2-ylmethyl)-8-methyl-[1,2,4]triazolo[4,3-a]pyridine
CID 117147336
8-chloro-3-(methylsulfonylmethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117257396
N-[(2-chlorophenyl)methyl]-3-(furan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 134798995
3-[(2-chlorophenyl)methyl]-8-methyl-[1,2,4]triazolo[4,3-a]pyridine
CID 117146970
3-(furan-2-ylmethyl)imidazo[1,5-a]pyridine
CID 117140006
3-[(3-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 117146911
3-(furan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbaldehyde
CID 117138682
8-chloro-3-(thian-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117146698
8-chloro-3-(thian-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117146756
2-[(8-amino-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]phenol
CID 117146993
methyl 3-(furan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
CID 117140392
2-chloro-6-(furan-2-ylmethyl)-4-(trichloromethyl)pyridine
CID 56622235

Frequently Asked Questions

What is the IUPAC name of 8-chloro-3-(furan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 8-chloro-3-(furan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine (CID 117147341) is 8-chloro-3-(furan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 8-chloro-3-(furan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 8-chloro-3-(furan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine is Clc1cccn2c(Cc3ccco3)nnc12.
What is the InChIKey of 8-chloro-3-(furan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is USMIZKYKTFTVBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN3O/c12-9-4-1-5-15-10(13-14-11(9)15)7-8-3-2-6-16-8/h1-6H,7H2.
What are the key properties of 8-chloro-3-(furan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine?
8-chloro-3-(furan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 233.66 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-3-(furan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 117147341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).