4-bromo-2-(difluoromethyl)-7a-methyl-1,7-dihydropyrrolo[2,3-b]pyridine

C9H9BrF2N2 — CID 162620356

IUPAC4-bromo-2-(difluoromethyl)-7a-methyl-1,7-dihydropyrrolo[2,3-b]pyridine
SMILESCC12NC=CC(Br)=C1C=C(C(F)F)N2
InChIInChI=1S/C9H9BrF2N2/c1-9-5(6(10)2-3-13-9)4-7(14-9)8(11)12/h2-4,8,13-14H,1H3
InChIKeyVGBNOVLOOHPNAB-UHFFFAOYSA-N
MW263.09 g/mol
LogP2.22
Rot. Bonds1

About 4-bromo-2-(difluoromethyl)-7a-methyl-1,7-dihydropyrrolo[2,3-b]pyridine

4-bromo-2-(difluoromethyl)-7a-methyl-1,7-dihydropyrrolo[2,3-b]pyridine (PubChem CID 162620356) has the molecular formula C9H9BrF2N2 and a molecular weight of 263.09 g/mol. Its IUPAC name is 4-bromo-2-(difluoromethyl)-7a-methyl-1,7-dihydropyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name4-bromo-2-(difluoromethyl)-7a-methyl-1,7-dihydropyrrolo[2,3-b]pyridine
PubChem CID162620356
Molecular FormulaC9H9BrF2N2
Molecular Weight263.09 g/mol
Exact Mass261.99
IUPAC Name4-bromo-2-(difluoromethyl)-7a-methyl-1,7-dihydropyrrolo[2,3-b]pyridine
SMILESCC12NC=CC(Br)=C1C=C(C(F)F)N2
InChIInChI=1S/C9H9BrF2N2/c1-9-5(6(10)2-3-13-9)4-7(14-9)8(11)12/h2-4,8,13-14H,1H3
InChIKeyVGBNOVLOOHPNAB-UHFFFAOYSA-N
XLogP2.22
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.09
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(difluoromethyl)-7a-methyl-1,7-dihydropyrrolo[2,3-b]pyridine?
The IUPAC name of 4-bromo-2-(difluoromethyl)-7a-methyl-1,7-dihydropyrrolo[2,3-b]pyridine (CID 162620356) is 4-bromo-2-(difluoromethyl)-7a-methyl-1,7-dihydropyrrolo[2,3-b]pyridine.
What is the SMILES notation for 4-bromo-2-(difluoromethyl)-7a-methyl-1,7-dihydropyrrolo[2,3-b]pyridine?
The canonical SMILES for 4-bromo-2-(difluoromethyl)-7a-methyl-1,7-dihydropyrrolo[2,3-b]pyridine is CC12NC=CC(Br)=C1C=C(C(F)F)N2.
What is the InChIKey of 4-bromo-2-(difluoromethyl)-7a-methyl-1,7-dihydropyrrolo[2,3-b]pyridine?
The InChIKey is VGBNOVLOOHPNAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrF2N2/c1-9-5(6(10)2-3-13-9)4-7(14-9)8(11)12/h2-4,8,13-14H,1H3.
What are the key properties of 4-bromo-2-(difluoromethyl)-7a-methyl-1,7-dihydropyrrolo[2,3-b]pyridine?
4-bromo-2-(difluoromethyl)-7a-methyl-1,7-dihydropyrrolo[2,3-b]pyridine has a molecular weight of 263.09 g/mol, XLogP of 2.22, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(difluoromethyl)-7a-methyl-1,7-dihydropyrrolo[2,3-b]pyridine is sourced from PubChem (CID 162620356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).