7-bromo-2-[(3-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine

C13H9BrFN3 — CID 117134987

IUPAC7-bromo-2-[(3-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESFc1cccc(Cc2nc3cc(Br)ccn3n2)c1
InChIInChI=1S/C13H9BrFN3/c14-10-4-5-18-13(8-10)16-12(17-18)7-9-2-1-3-11(15)6-9/h1-6,8H,7H2
InChIKeyJZAPAADYGFPWGW-UHFFFAOYSA-N
MW306.14 g/mol
LogP3.22
Rot. Bonds2

About 7-bromo-2-[(3-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine

7-bromo-2-[(3-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 117134987) has the molecular formula C13H9BrFN3 and a molecular weight of 306.14 g/mol. Its IUPAC name is 7-bromo-2-[(3-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name7-bromo-2-[(3-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID117134987
Molecular FormulaC13H9BrFN3
Molecular Weight306.14 g/mol
Exact Mass305.00
IUPAC Name7-bromo-2-[(3-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESFc1cccc(Cc2nc3cc(Br)ccn3n2)c1
InChIInChI=1S/C13H9BrFN3/c14-10-4-5-18-13(8-10)16-12(17-18)7-9-2-1-3-11(15)6-9/h1-6,8H,7H2
InChIKeyJZAPAADYGFPWGW-UHFFFAOYSA-N
XLogP3.22
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.14
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-2-[(3-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 117130371
2-benzyl-7-chloro-[1,2,4]triazolo[1,5-a]pyridine
CID 117134952
2-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-7-carbaldehyde
CID 115003600
2-[(3-bromophenyl)methyl]-6-methoxy-[1,2,4]triazolo[1,5-a]pyridine
CID 117130289
2-[(4-bromophenyl)methyl]-7-methoxy-[1,2,4]triazolo[1,5-a]pyridine
CID 117135150
5-bromo-2-[(3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 117132592
methyl 2-(7-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)acetate
CID 116990029
2-bromo-7-fluoro-[1,2,4]triazolo[1,5-a]pyridine
CID 131541116
7-bromo-2-(2-piperazin-1-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 116990026
5-bromo-1-[(3-fluorophenyl)methyl]indole
CID 4284704
N-(4-bromophenyl)-2-[(3-fluorophenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 46352593
2-[(2-bromophenyl)methyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridine
CID 117135097

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-[(3-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 7-bromo-2-[(3-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine (CID 117134987) is 7-bromo-2-[(3-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 7-bromo-2-[(3-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 7-bromo-2-[(3-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine is Fc1cccc(Cc2nc3cc(Br)ccn3n2)c1.
What is the InChIKey of 7-bromo-2-[(3-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is JZAPAADYGFPWGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrFN3/c14-10-4-5-18-13(8-10)16-12(17-18)7-9-2-1-3-11(15)6-9/h1-6,8H,7H2.
What are the key properties of 7-bromo-2-[(3-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine?
7-bromo-2-[(3-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 306.14 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-[(3-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 117134987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).