8-chloro-3-[(3-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine

C13H9ClFN3 — CID 117146916

IUPAC8-chloro-3-[(3-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESFc1cccc(Cc2nnc3c(Cl)cccn23)c1
InChIInChI=1S/C13H9ClFN3/c14-11-5-2-6-18-12(16-17-13(11)18)8-9-3-1-4-10(15)7-9/h1-7H,8H2
InChIKeyWDYSFQGWCDVIOM-UHFFFAOYSA-N
MW261.69 g/mol
LogP3.11
Rot. Bonds2

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

8-chloro-3-[(3-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 117146916) has the molecular formula C13H9ClFN3 and a molecular weight of 261.69 g/mol. Its IUPAC name is 8-chloro-3-[(3-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name8-chloro-3-[(3-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID117146916
Molecular FormulaC13H9ClFN3
Molecular Weight261.69 g/mol
Exact Mass261.05
IUPAC Name8-chloro-3-[(3-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESFc1cccc(Cc2nnc3c(Cl)cccn23)c1
InChIInChI=1S/C13H9ClFN3/c14-11-5-2-6-18-12(16-17-13(11)18)8-9-3-1-4-10(15)7-9/h1-7H,8H2
InChIKeyWDYSFQGWCDVIOM-UHFFFAOYSA-N
XLogP3.11
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.69
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 117146911
8-chloro-3-(furan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117147341
3-[(3-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
CID 117147677
1-(8-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[(3-fluorophenyl)methyl]piperidine-3-carboxamide
CID 53203235
3-[(3-fluorophenyl)methyl]imidazo[1,5-a]pyridine
CID 117139523
3-[(3-fluorophenyl)methyl]-6-methoxy-[1,2,4]triazolo[4,3-a]pyridine
CID 117138056
3-[(2-chlorophenyl)methyl]-8-methyl-[1,2,4]triazolo[4,3-a]pyridine
CID 117146970
8-chloro-3-[(3-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 105393470
8-chloro-3-[(3-fluorophenoxy)methyl]imidazo[1,2-a]pyridine
CID 117256832
5-chloro-3-[(3-fluorophenyl)methyl]imidazo[1,5-a]pyridine
CID 117141951
3-[(8-chloroimidazo[1,5-a]pyridin-3-yl)methyl]phenol
CID 117146925
3-[(3-fluorophenyl)methyl]-7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 117151577

Frequently Asked Questions

What is the IUPAC name of 8-chloro-3-[(3-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 8-chloro-3-[(3-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine (CID 117146916) is 8-chloro-3-[(3-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 8-chloro-3-[(3-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 8-chloro-3-[(3-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine is Fc1cccc(Cc2nnc3c(Cl)cccn23)c1.
What is the InChIKey of 8-chloro-3-[(3-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is WDYSFQGWCDVIOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFN3/c14-11-5-2-6-18-12(16-17-13(11)18)8-9-3-1-4-10(15)7-9/h1-7H,8H2.
What are the key properties of 8-chloro-3-[(3-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine?
8-chloro-3-[(3-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 261.69 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-3-[(3-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 117146916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).