5-(3-bromophenyl)-2-(chloromethyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile

C14H8BrClN4 — CID 82565369

IUPAC5-(3-bromophenyl)-2-(chloromethyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile
SMILESN#Cc1ccc(-c2cccc(Br)c2)n2nc(CCl)nc12
InChIInChI=1S/C14H8BrClN4/c15-11-3-1-2-9(6-11)12-5-4-10(8-17)14-18-13(7-16)19-20(12)14/h1-6H,7H2
InChIKeyDCIYIVXLOFYGAA-UHFFFAOYSA-N
MW347.60 g/mol
LogP3.77
Rot. Bonds2

About 5-(3-bromophenyl)-2-(chloromethyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile

5-(3-bromophenyl)-2-(chloromethyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile (PubChem CID 82565369) has the molecular formula C14H8BrClN4 and a molecular weight of 347.60 g/mol. Its IUPAC name is 5-(3-bromophenyl)-2-(chloromethyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile.

Molecular Properties

Compound Name5-(3-bromophenyl)-2-(chloromethyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile
PubChem CID82565369
Molecular FormulaC14H8BrClN4
Molecular Weight347.60 g/mol
Exact Mass345.96
IUPAC Name5-(3-bromophenyl)-2-(chloromethyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile
SMILESN#Cc1ccc(-c2cccc(Br)c2)n2nc(CCl)nc12
InChIInChI=1S/C14H8BrClN4/c15-11-3-1-2-9(6-11)12-5-4-10(8-17)14-18-13(7-16)19-20(12)14/h1-6H,7H2
InChIKeyDCIYIVXLOFYGAA-UHFFFAOYSA-N
XLogP3.77
TPSA53.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.60
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-[5-(3-bromophenyl)-8-(4,5-dihydro-1H-imidazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N,N-dimethylethanamine
CID 82566118
5-(3-bromophenyl)-2-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 82565674
5-(3-bromophenyl)-2-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carbothioamide
CID 82565824
5-(3-bromophenyl)-2-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboximidamide
CID 82565974
methyl 5-(3-bromophenyl)-2-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate
CID 82565527
5-(3-bromophenyl)-2-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboximidamide
CID 82565975
2-[5-(3-bromophenyl)tetrazol-2-yl]acetonitrile
CID 15984034
5,6-bis(3-bromophenyl)-3-chloropyrazine-2-carbonitrile
CID 132588492
4-(3-bromophenyl)-1-methyl-2-oxopyrimidine-5-carbonitrile
CID 116851963
2-(3-bromophenyl)-1-ethylbenzimidazole-5-carbonitrile
CID 65040395
2-(chloromethyl)-5-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 82565619
methyl 5-(3-bromophenyl)-2-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate
CID 82565525

Frequently Asked Questions

What is the IUPAC name of 5-(3-bromophenyl)-2-(chloromethyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile?
The IUPAC name of 5-(3-bromophenyl)-2-(chloromethyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile (CID 82565369) is 5-(3-bromophenyl)-2-(chloromethyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile.
What is the SMILES notation for 5-(3-bromophenyl)-2-(chloromethyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile?
The canonical SMILES for 5-(3-bromophenyl)-2-(chloromethyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile is N#Cc1ccc(-c2cccc(Br)c2)n2nc(CCl)nc12.
What is the InChIKey of 5-(3-bromophenyl)-2-(chloromethyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile?
The InChIKey is DCIYIVXLOFYGAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrClN4/c15-11-3-1-2-9(6-11)12-5-4-10(8-17)14-18-13(7-16)19-20(12)14/h1-6H,7H2.
What are the key properties of 5-(3-bromophenyl)-2-(chloromethyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile?
5-(3-bromophenyl)-2-(chloromethyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile has a molecular weight of 347.60 g/mol, XLogP of 3.77, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromophenyl)-2-(chloromethyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile is sourced from PubChem (CID 82565369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).