4-bromo-2-(difluoromethyl)-1H-pyrrolo[2,3-b]pyridine

C8H5BrF2N2 — CID 59744449

IUPAC4-bromo-2-(difluoromethyl)-1H-pyrrolo[2,3-b]pyridine
SMILESFC(F)c1cc2c(Br)ccnc2[nH]1
InChIInChI=1S/C8H5BrF2N2/c9-5-1-2-12-8-4(5)3-6(13-8)7(10)11/h1-3,7H,(H,12,13)
InChIKeyKYMPSSVNCHIJKW-UHFFFAOYSA-N
MW247.04 g/mol
LogP3.26
Rot. Bonds1

About 4-bromo-2-(difluoromethyl)-1H-pyrrolo[2,3-b]pyridine

4-bromo-2-(difluoromethyl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 59744449) has the molecular formula C8H5BrF2N2 and a molecular weight of 247.04 g/mol. Its IUPAC name is 4-bromo-2-(difluoromethyl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name4-bromo-2-(difluoromethyl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID59744449
Molecular FormulaC8H5BrF2N2
Molecular Weight247.04 g/mol
Exact Mass245.96
IUPAC Name4-bromo-2-(difluoromethyl)-1H-pyrrolo[2,3-b]pyridine
SMILESFC(F)c1cc2c(Br)ccnc2[nH]1
InChIInChI=1S/C8H5BrF2N2/c9-5-1-2-12-8-4(5)3-6(13-8)7(10)11/h1-3,7H,(H,12,13)
InChIKeyKYMPSSVNCHIJKW-UHFFFAOYSA-N
XLogP3.26
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.04
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(difluoromethyl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 4-bromo-2-(difluoromethyl)-1H-pyrrolo[2,3-b]pyridine (CID 59744449) is 4-bromo-2-(difluoromethyl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 4-bromo-2-(difluoromethyl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 4-bromo-2-(difluoromethyl)-1H-pyrrolo[2,3-b]pyridine is FC(F)c1cc2c(Br)ccnc2[nH]1.
What is the InChIKey of 4-bromo-2-(difluoromethyl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is KYMPSSVNCHIJKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrF2N2/c9-5-1-2-12-8-4(5)3-6(13-8)7(10)11/h1-3,7H,(H,12,13).
What are the key properties of 4-bromo-2-(difluoromethyl)-1H-pyrrolo[2,3-b]pyridine?
4-bromo-2-(difluoromethyl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 247.04 g/mol, XLogP of 3.26, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(difluoromethyl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 59744449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).