3-[(2-fluorophenyl)methyl]-6-methyl-[1,2,4]triazolo[4,3-a]pyridine

C14H12FN3 — CID 117139612

IUPAC3-[(2-fluorophenyl)methyl]-6-methyl-[1,2,4]triazolo[4,3-a]pyridine
SMILESCc1ccc2nnc(Cc3ccccc3F)n2c1
InChIInChI=1S/C14H12FN3/c1-10-6-7-13-16-17-14(18(13)9-10)8-11-4-2-3-5-12(11)15/h2-7,9H,8H2,1H3
InChIKeyWJJORVZLKLPVMX-UHFFFAOYSA-N
MW241.27 g/mol
LogP2.77
Rot. Bonds2

About 3-[(2-fluorophenyl)methyl]-6-methyl-[1,2,4]triazolo[4,3-a]pyridine

3-[(2-fluorophenyl)methyl]-6-methyl-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 117139612) has the molecular formula C14H12FN3 and a molecular weight of 241.27 g/mol. Its IUPAC name is 3-[(2-fluorophenyl)methyl]-6-methyl-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name3-[(2-fluorophenyl)methyl]-6-methyl-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID117139612
Molecular FormulaC14H12FN3
Molecular Weight241.27 g/mol
Exact Mass241.10
IUPAC Name3-[(2-fluorophenyl)methyl]-6-methyl-[1,2,4]triazolo[4,3-a]pyridine
SMILESCc1ccc2nnc(Cc3ccccc3F)n2c1
InChIInChI=1S/C14H12FN3/c1-10-6-7-13-16-17-14(18(13)9-10)8-11-4-2-3-5-12(11)15/h2-7,9H,8H2,1H3
InChIKeyWJJORVZLKLPVMX-UHFFFAOYSA-N
XLogP2.77
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-bromophenyl)methyl]-6-methyl-[1,2,4]triazolo[4,3-a]pyridine
CID 117139614
3-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 62389506
6-methyl-3-[(3-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 117139519
3-[(4-bromophenyl)methyl]-6-methyl-[1,2,4]triazolo[4,3-a]pyridine
CID 117139685
6-methoxy-3-[(2-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 117138066
3-[(2,3-difluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
CID 105392560
2-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanol
CID 105436826
3-[(2-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-6-ol
CID 117139617
3-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-ol
CID 117146975
3-[(2-fluorophenyl)methyl]-6-(4-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 11841773
1-bromo-3-[2-(2-fluorophenyl)ethyl]-6-methylimidazo[1,5-a]pyridine
CID 84745023
3-[(2-fluorophenyl)methyl]-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine;hydrochloride
CID 19906261

Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluorophenyl)methyl]-6-methyl-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 3-[(2-fluorophenyl)methyl]-6-methyl-[1,2,4]triazolo[4,3-a]pyridine (CID 117139612) is 3-[(2-fluorophenyl)methyl]-6-methyl-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 3-[(2-fluorophenyl)methyl]-6-methyl-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 3-[(2-fluorophenyl)methyl]-6-methyl-[1,2,4]triazolo[4,3-a]pyridine is Cc1ccc2nnc(Cc3ccccc3F)n2c1.
What is the InChIKey of 3-[(2-fluorophenyl)methyl]-6-methyl-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is WJJORVZLKLPVMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3/c1-10-6-7-13-16-17-14(18(13)9-10)8-11-4-2-3-5-12(11)15/h2-7,9H,8H2,1H3.
What are the key properties of 3-[(2-fluorophenyl)methyl]-6-methyl-[1,2,4]triazolo[4,3-a]pyridine?
3-[(2-fluorophenyl)methyl]-6-methyl-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 241.27 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluorophenyl)methyl]-6-methyl-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 117139612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).