5-bromo-3-(1-methylpyrazol-4-yl)-1-(2,2,2-trifluoroethyl)pyrrolo[2,3-c]pyridine

C13H10BrF3N4 — CID 171037238

IUPAC5-bromo-3-(1-methylpyrazol-4-yl)-1-(2,2,2-trifluoroethyl)pyrrolo[2,3-c]pyridine
SMILESCn1cc(-c2cn(CC(F)(F)F)c3cnc(Br)cc23)cn1
InChIInChI=1S/C13H10BrF3N4/c1-20-5-8(3-19-20)10-6-21(7-13(15,16)17)11-4-18-12(14)2-9(10)11/h2-6H,7H2,1H3
InChIKeyZVKRRJONEXUFGR-UHFFFAOYSA-N
MW359.15 g/mol
LogP3.76
Rot. Bonds2

About 5-bromo-3-(1-methylpyrazol-4-yl)-1-(2,2,2-trifluoroethyl)pyrrolo[2,3-c]pyridine

5-bromo-3-(1-methylpyrazol-4-yl)-1-(2,2,2-trifluoroethyl)pyrrolo[2,3-c]pyridine (PubChem CID 171037238) has the molecular formula C13H10BrF3N4 and a molecular weight of 359.15 g/mol. Its IUPAC name is 5-bromo-3-(1-methylpyrazol-4-yl)-1-(2,2,2-trifluoroethyl)pyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name5-bromo-3-(1-methylpyrazol-4-yl)-1-(2,2,2-trifluoroethyl)pyrrolo[2,3-c]pyridine
PubChem CID171037238
Molecular FormulaC13H10BrF3N4
Molecular Weight359.15 g/mol
Exact Mass358.00
IUPAC Name5-bromo-3-(1-methylpyrazol-4-yl)-1-(2,2,2-trifluoroethyl)pyrrolo[2,3-c]pyridine
SMILESCn1cc(-c2cn(CC(F)(F)F)c3cnc(Br)cc23)cn1
InChIInChI=1S/C13H10BrF3N4/c1-20-5-8(3-19-20)10-6-21(7-13(15,16)17)11-4-18-12(14)2-9(10)11/h2-6H,7H2,1H3
InChIKeyZVKRRJONEXUFGR-UHFFFAOYSA-N
XLogP3.76
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.15
LogP ≤ 53.76
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

4-[5-bromo-3-[1-[2-(trimethyl-λ4-sulfanyl)ethoxymethyl]pyrazol-4-yl]pyrrolo[2,3-c]pyridin-1-yl]-2-methylbutan-2-ol
CID 134545929
5-bromo-3-[1-(cyclohexylmethyl)pyrazol-4-yl]-1-methylpyrrolo[2,3-c]pyridine
CID 171037227
5-bromo-1-(cyclopropylmethyl)-3-[1-(oxan-2-yl)pyrazol-4-yl]pyrrolo[2,3-c]pyridine
CID 171037251
5-bromo-1-(cyclobutylmethyl)-3-[1-(oxan-2-yl)pyrazol-4-yl]pyrrolo[2,3-c]pyridine
CID 171037256
6-bromo-2-(1-methylpyrazol-4-yl)-1-methylsulfonylpyrrolo[3,2-c]pyridine
CID 86706275
2-[[4-(5-bromo-1-pentan-3-ylpyrrolo[2,3-c]pyridin-3-yl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
CID 123479239
5-bromo-1-butyl-3-iodopyrrolo[2,3-c]pyridine
CID 154029167
4-bromo-5-(1-methylpyrazol-4-yl)pyrimidine
CID 105370998
3-bromo-4-fluoro-5-(1-methylpyrazol-4-yl)pyridin-2-amine
CID 118045204
CID 174040072
CID 174040072
2-[[4-[5-bromo-1-(2-methylpropylsulfonyl)pyrrolo[2,3-c]pyridin-3-yl]pyrazol-1-yl]methoxy]ethyl-trimethyl-λ4-sulfane
CID 134545992
2-(1-methylpyrazol-4-yl)-4-(trifluoromethyl)aniline
CID 167459732

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(1-methylpyrazol-4-yl)-1-(2,2,2-trifluoroethyl)pyrrolo[2,3-c]pyridine?
The IUPAC name of 5-bromo-3-(1-methylpyrazol-4-yl)-1-(2,2,2-trifluoroethyl)pyrrolo[2,3-c]pyridine (CID 171037238) is 5-bromo-3-(1-methylpyrazol-4-yl)-1-(2,2,2-trifluoroethyl)pyrrolo[2,3-c]pyridine.
What is the SMILES notation for 5-bromo-3-(1-methylpyrazol-4-yl)-1-(2,2,2-trifluoroethyl)pyrrolo[2,3-c]pyridine?
The canonical SMILES for 5-bromo-3-(1-methylpyrazol-4-yl)-1-(2,2,2-trifluoroethyl)pyrrolo[2,3-c]pyridine is Cn1cc(-c2cn(CC(F)(F)F)c3cnc(Br)cc23)cn1.
What is the InChIKey of 5-bromo-3-(1-methylpyrazol-4-yl)-1-(2,2,2-trifluoroethyl)pyrrolo[2,3-c]pyridine?
The InChIKey is ZVKRRJONEXUFGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrF3N4/c1-20-5-8(3-19-20)10-6-21(7-13(15,16)17)11-4-18-12(14)2-9(10)11/h2-6H,7H2,1H3.
What are the key properties of 5-bromo-3-(1-methylpyrazol-4-yl)-1-(2,2,2-trifluoroethyl)pyrrolo[2,3-c]pyridine?
5-bromo-3-(1-methylpyrazol-4-yl)-1-(2,2,2-trifluoroethyl)pyrrolo[2,3-c]pyridine has a molecular weight of 359.15 g/mol, XLogP of 3.76, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(1-methylpyrazol-4-yl)-1-(2,2,2-trifluoroethyl)pyrrolo[2,3-c]pyridine is sourced from PubChem (CID 171037238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).