bromo(trifluoro)methane;1H-pyrrolo[2,3-b]pyridine

C8H6BrF3N2 — CID 174310958

IUPACbromo(trifluoro)methane;1H-pyrrolo[2,3-b]pyridine
SMILESFC(F)(F)Br.c1cnc2[nH]ccc2c1
InChIInChI=1S/C7H6N2.CBrF3/c1-2-6-3-5-9-7(6)8-4-1;2-1(3,4)5/h1-5H,(H,8,9);
InChIKeyIVNUNZYEXLIZLF-UHFFFAOYSA-N
MW267.05 g/mol
LogP3.46
Rot. Bonds

About bromo(trifluoro)methane;1H-pyrrolo[2,3-b]pyridine

bromo(trifluoro)methane;1H-pyrrolo[2,3-b]pyridine (PubChem CID 174310958) has the molecular formula C8H6BrF3N2 and a molecular weight of 267.05 g/mol. Its IUPAC name is bromo(trifluoro)methane;1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Namebromo(trifluoro)methane;1H-pyrrolo[2,3-b]pyridine
PubChem CID174310958
Molecular FormulaC8H6BrF3N2
Molecular Weight267.05 g/mol
Exact Mass265.97
IUPAC Namebromo(trifluoro)methane;1H-pyrrolo[2,3-b]pyridine
SMILESFC(F)(F)Br.c1cnc2[nH]ccc2c1
InChIInChI=1S/C7H6N2.CBrF3/c1-2-6-3-5-9-7(6)8-4-1;2-1(3,4)5/h1-5H,(H,8,9);
InChIKeyIVNUNZYEXLIZLF-UHFFFAOYSA-N
XLogP3.46
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.05
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bromo(trifluoro)methane;1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of bromo(trifluoro)methane;1H-pyrrolo[2,3-b]pyridine (CID 174310958) is bromo(trifluoro)methane;1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for bromo(trifluoro)methane;1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for bromo(trifluoro)methane;1H-pyrrolo[2,3-b]pyridine is FC(F)(F)Br.c1cnc2[nH]ccc2c1.
What is the InChIKey of bromo(trifluoro)methane;1H-pyrrolo[2,3-b]pyridine?
The InChIKey is IVNUNZYEXLIZLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2.CBrF3/c1-2-6-3-5-9-7(6)8-4-1;2-1(3,4)5/h1-5H,(H,8,9);.
What are the key properties of bromo(trifluoro)methane;1H-pyrrolo[2,3-b]pyridine?
bromo(trifluoro)methane;1H-pyrrolo[2,3-b]pyridine has a molecular weight of 267.05 g/mol, XLogP of 3.46, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bromo(trifluoro)methane;1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 174310958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).