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

C13H6BrFN4 — CID 105393186

IUPAC3-(3-bromo-5-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile
SMILESN#Cc1ccn2c(-c3cc(F)cc(Br)c3)nnc2c1
InChIInChI=1S/C13H6BrFN4/c14-10-4-9(5-11(15)6-10)13-18-17-12-3-8(7-16)1-2-19(12)13/h1-6H
InChIKeyCFLVOZKNTCMKBD-UHFFFAOYSA-N
MW317.12 g/mol
LogP3.17
Rot. Bonds1

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

3-(3-bromo-5-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile (PubChem CID 105393186) has the molecular formula C13H6BrFN4 and a molecular weight of 317.12 g/mol. Its IUPAC name is 3-(3-bromo-5-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile.

Molecular Properties

Compound Name3-(3-bromo-5-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile
PubChem CID105393186
Molecular FormulaC13H6BrFN4
Molecular Weight317.12 g/mol
Exact Mass315.98
IUPAC Name3-(3-bromo-5-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile
SMILESN#Cc1ccn2c(-c3cc(F)cc(Br)c3)nnc2c1
InChIInChI=1S/C13H6BrFN4/c14-10-4-9(5-11(15)6-10)13-18-17-12-3-8(7-16)1-2-19(12)13/h1-6H
InChIKeyCFLVOZKNTCMKBD-UHFFFAOYSA-N
XLogP3.17
TPSA53.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.12
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,5-dimethylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile
CID 105393093
3-(4-methylsulfanylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile
CID 105393115
3-(3-bromo-4-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile
CID 105392943
3-(5-cyano-2-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile
CID 105393065
3-(3-chloro-4-iodophenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile
CID 103217881
3-(4,5-dibromothiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile
CID 105393103
3-(1-methylpyrazol-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile
CID 103130033
3-thiophen-2-yl-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile
CID 105393133
3-[(3-bromophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile
CID 105393209
3-ethyl-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile
CID 105392928
3-(chloromethyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile
CID 55267420
3-(3-bromophenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
CID 105392633

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-5-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile?
The IUPAC name of 3-(3-bromo-5-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile (CID 105393186) is 3-(3-bromo-5-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile.
What is the SMILES notation for 3-(3-bromo-5-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile?
The canonical SMILES for 3-(3-bromo-5-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile is N#Cc1ccn2c(-c3cc(F)cc(Br)c3)nnc2c1.
What is the InChIKey of 3-(3-bromo-5-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile?
The InChIKey is CFLVOZKNTCMKBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6BrFN4/c14-10-4-9(5-11(15)6-10)13-18-17-12-3-8(7-16)1-2-19(12)13/h1-6H.
What are the key properties of 3-(3-bromo-5-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile?
3-(3-bromo-5-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile has a molecular weight of 317.12 g/mol, XLogP of 3.17, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-5-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile is sourced from PubChem (CID 105393186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).