2-bromo-3-(4-fluorophenyl)-7,7-dimethyl-5,6-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one

C15H14BrFN2O — CID 121417646

IUPAC2-bromo-3-(4-fluorophenyl)-7,7-dimethyl-5,6-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one
SMILESCC1(C)CNC(=O)c2c1[nH]c(Br)c2-c1ccc(F)cc1
InChIInChI=1S/C15H14BrFN2O/c1-15(2)7-18-14(20)11-10(13(16)19-12(11)15)8-3-5-9(17)6-4-8/h3-6,19H,7H2,1-2H3,(H,18,20)
InChIKeyUWFRJNZNKNLFHS-UHFFFAOYSA-N
MW337.19 g/mol
LogP3.60
Rot. Bonds1

About 2-bromo-3-(4-fluorophenyl)-7,7-dimethyl-5,6-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one

2-bromo-3-(4-fluorophenyl)-7,7-dimethyl-5,6-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one (PubChem CID 121417646) has the molecular formula C15H14BrFN2O and a molecular weight of 337.19 g/mol. Its IUPAC name is 2-bromo-3-(4-fluorophenyl)-7,7-dimethyl-5,6-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name2-bromo-3-(4-fluorophenyl)-7,7-dimethyl-5,6-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one
PubChem CID121417646
Molecular FormulaC15H14BrFN2O
Molecular Weight337.19 g/mol
Exact Mass336.03
IUPAC Name2-bromo-3-(4-fluorophenyl)-7,7-dimethyl-5,6-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one
SMILESCC1(C)CNC(=O)c2c1[nH]c(Br)c2-c1ccc(F)cc1
InChIInChI=1S/C15H14BrFN2O/c1-15(2)7-18-14(20)11-10(13(16)19-12(11)15)8-3-5-9(17)6-4-8/h3-6,19H,7H2,1-2H3,(H,18,20)
InChIKeyUWFRJNZNKNLFHS-UHFFFAOYSA-N
XLogP3.60
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.19
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-(4-fluorophenyl)-7,7-dimethyl-5,6-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one?
The IUPAC name of 2-bromo-3-(4-fluorophenyl)-7,7-dimethyl-5,6-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one (CID 121417646) is 2-bromo-3-(4-fluorophenyl)-7,7-dimethyl-5,6-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one.
What is the SMILES notation for 2-bromo-3-(4-fluorophenyl)-7,7-dimethyl-5,6-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one?
The canonical SMILES for 2-bromo-3-(4-fluorophenyl)-7,7-dimethyl-5,6-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one is CC1(C)CNC(=O)c2c1[nH]c(Br)c2-c1ccc(F)cc1.
What is the InChIKey of 2-bromo-3-(4-fluorophenyl)-7,7-dimethyl-5,6-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one?
The InChIKey is UWFRJNZNKNLFHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFN2O/c1-15(2)7-18-14(20)11-10(13(16)19-12(11)15)8-3-5-9(17)6-4-8/h3-6,19H,7H2,1-2H3,(H,18,20).
What are the key properties of 2-bromo-3-(4-fluorophenyl)-7,7-dimethyl-5,6-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one?
2-bromo-3-(4-fluorophenyl)-7,7-dimethyl-5,6-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one has a molecular weight of 337.19 g/mol, XLogP of 3.60, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-(4-fluorophenyl)-7,7-dimethyl-5,6-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one is sourced from PubChem (CID 121417646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).