3-bromo-6-(trifluoromethyl)-1H-pyrrolo[3,2-c]pyridine

C8H4BrF3N2 — CID 53412575

IUPAC3-bromo-6-(trifluoromethyl)-1H-pyrrolo[3,2-c]pyridine
SMILESFC(F)(F)c1cc2[nH]cc(Br)c2cn1
InChIInChI=1S/C8H4BrF3N2/c9-5-3-13-6-1-7(8(10,11)12)14-2-4(5)6/h1-3,13H
InChIKeyPFBFXIPUSOWQGJ-UHFFFAOYSA-N
MW265.03 g/mol
LogP3.34
Rot. Bonds

About 3-bromo-6-(trifluoromethyl)-1H-pyrrolo[3,2-c]pyridine

3-bromo-6-(trifluoromethyl)-1H-pyrrolo[3,2-c]pyridine (PubChem CID 53412575) has the molecular formula C8H4BrF3N2 and a molecular weight of 265.03 g/mol. Its IUPAC name is 3-bromo-6-(trifluoromethyl)-1H-pyrrolo[3,2-c]pyridine.

Molecular Properties

Compound Name3-bromo-6-(trifluoromethyl)-1H-pyrrolo[3,2-c]pyridine
PubChem CID53412575
Molecular FormulaC8H4BrF3N2
Molecular Weight265.03 g/mol
Exact Mass263.95
IUPAC Name3-bromo-6-(trifluoromethyl)-1H-pyrrolo[3,2-c]pyridine
SMILESFC(F)(F)c1cc2[nH]cc(Br)c2cn1
InChIInChI=1S/C8H4BrF3N2/c9-5-3-13-6-1-7(8(10,11)12)14-2-4(5)6/h1-3,13H
InChIKeyPFBFXIPUSOWQGJ-UHFFFAOYSA-N
XLogP3.34
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.03
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-(trifluoromethyl)-1H-pyrrolo[3,2-c]pyridine?
The IUPAC name of 3-bromo-6-(trifluoromethyl)-1H-pyrrolo[3,2-c]pyridine (CID 53412575) is 3-bromo-6-(trifluoromethyl)-1H-pyrrolo[3,2-c]pyridine.
What is the SMILES notation for 3-bromo-6-(trifluoromethyl)-1H-pyrrolo[3,2-c]pyridine?
The canonical SMILES for 3-bromo-6-(trifluoromethyl)-1H-pyrrolo[3,2-c]pyridine is FC(F)(F)c1cc2[nH]cc(Br)c2cn1.
What is the InChIKey of 3-bromo-6-(trifluoromethyl)-1H-pyrrolo[3,2-c]pyridine?
The InChIKey is PFBFXIPUSOWQGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrF3N2/c9-5-3-13-6-1-7(8(10,11)12)14-2-4(5)6/h1-3,13H.
What are the key properties of 3-bromo-6-(trifluoromethyl)-1H-pyrrolo[3,2-c]pyridine?
3-bromo-6-(trifluoromethyl)-1H-pyrrolo[3,2-c]pyridine has a molecular weight of 265.03 g/mol, XLogP of 3.34, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-(trifluoromethyl)-1H-pyrrolo[3,2-c]pyridine is sourced from PubChem (CID 53412575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).