2-bromo-6-[4-methyl-5-(trifluoromethyl)-3H-1,2,4-triazol-2-yl]pyridine

C9H8BrF3N4 — CID 141291032

IUPAC2-bromo-6-[4-methyl-5-(trifluoromethyl)-3H-1,2,4-triazol-2-yl]pyridine
SMILESCN1CN(c2cccc(Br)n2)N=C1C(F)(F)F
InChIInChI=1S/C9H8BrF3N4/c1-16-5-17(15-8(16)9(11,12)13)7-4-2-3-6(10)14-7/h2-4H,5H2,1H3
InChIKeyFJXKNKBWDFWOJM-UHFFFAOYSA-N
MW309.09 g/mol
LogP2.43
Rot. Bonds1

About 2-bromo-6-[4-methyl-5-(trifluoromethyl)-3H-1,2,4-triazol-2-yl]pyridine

2-bromo-6-[4-methyl-5-(trifluoromethyl)-3H-1,2,4-triazol-2-yl]pyridine (PubChem CID 141291032) has the molecular formula C9H8BrF3N4 and a molecular weight of 309.09 g/mol. Its IUPAC name is 2-bromo-6-[4-methyl-5-(trifluoromethyl)-3H-1,2,4-triazol-2-yl]pyridine.

Molecular Properties

Compound Name2-bromo-6-[4-methyl-5-(trifluoromethyl)-3H-1,2,4-triazol-2-yl]pyridine
PubChem CID141291032
Molecular FormulaC9H8BrF3N4
Molecular Weight309.09 g/mol
Exact Mass307.99
IUPAC Name2-bromo-6-[4-methyl-5-(trifluoromethyl)-3H-1,2,4-triazol-2-yl]pyridine
SMILESCN1CN(c2cccc(Br)n2)N=C1C(F)(F)F
InChIInChI=1S/C9H8BrF3N4/c1-16-5-17(15-8(16)9(11,12)13)7-4-2-3-6(10)14-7/h2-4H,5H2,1H3
InChIKeyFJXKNKBWDFWOJM-UHFFFAOYSA-N
XLogP2.43
TPSA31.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.09
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-Bromo-N,N-diethylpyridin-2-amine
CID 18696589
6-bromo-N,N-dimethylpyridin-2-amine
CID 14006062
3-Bromo-2-fluoro-6-(pyrrolidin-1-yl)pyridine
CID 46318078
6-Bromo-3-fluoro-2-piperidin-1-ylpyridine
CID 817395
6-bromo-N,N-di(propan-2-yl)pyridin-2-amine
CID 130153163
2-Bromo-6-(piperidin-1-yl)pyridine
CID 7164597
2-Bromo-6-(pyrrolidin-1-yl)pyridine
CID 15470277
5-bromo-N-ethyl-N-(trifluoromethyl)pyridin-2-amine
CID 162539100
5-bromo-N-methyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine
CID 61373777
1-(6-Bromopyridin-2-yl)-4-(2,2,2-trifluoroethyl)piperazine
CID 63961537
(6-Bromo-5-fluoro-pyridin-2-yl)-dimethyl-amine
CID 86670207
6-Bromo-N-(2,2-difluoroethyl)-N-methylpyridin-2-amine
CID 86727989

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-[4-methyl-5-(trifluoromethyl)-3H-1,2,4-triazol-2-yl]pyridine?
The IUPAC name of 2-bromo-6-[4-methyl-5-(trifluoromethyl)-3H-1,2,4-triazol-2-yl]pyridine (CID 141291032) is 2-bromo-6-[4-methyl-5-(trifluoromethyl)-3H-1,2,4-triazol-2-yl]pyridine.
What is the SMILES notation for 2-bromo-6-[4-methyl-5-(trifluoromethyl)-3H-1,2,4-triazol-2-yl]pyridine?
The canonical SMILES for 2-bromo-6-[4-methyl-5-(trifluoromethyl)-3H-1,2,4-triazol-2-yl]pyridine is CN1CN(c2cccc(Br)n2)N=C1C(F)(F)F.
What is the InChIKey of 2-bromo-6-[4-methyl-5-(trifluoromethyl)-3H-1,2,4-triazol-2-yl]pyridine?
The InChIKey is FJXKNKBWDFWOJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrF3N4/c1-16-5-17(15-8(16)9(11,12)13)7-4-2-3-6(10)14-7/h2-4H,5H2,1H3.
What are the key properties of 2-bromo-6-[4-methyl-5-(trifluoromethyl)-3H-1,2,4-triazol-2-yl]pyridine?
2-bromo-6-[4-methyl-5-(trifluoromethyl)-3H-1,2,4-triazol-2-yl]pyridine has a molecular weight of 309.09 g/mol, XLogP of 2.43, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-[4-methyl-5-(trifluoromethyl)-3H-1,2,4-triazol-2-yl]pyridine is sourced from PubChem (CID 141291032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).