(4-bromo-2-fluorophenyl)-(2,3-dihydropyrrolo[2,3-c]pyridin-1-yl)methanone

C14H10BrFN2O — CID 75450655

IUPAC(4-bromo-2-fluorophenyl)-(2,3-dihydropyrrolo[2,3-c]pyridin-1-yl)methanone
SMILESO=C(c1ccc(Br)cc1F)N1CCc2ccncc21
InChIInChI=1S/C14H10BrFN2O/c15-10-1-2-11(12(16)7-10)14(19)18-6-4-9-3-5-17-8-13(9)18/h1-3,5,7-8H,4,6H2
InChIKeyFDVPPJLMKSCJRU-UHFFFAOYSA-N
MW321.15 g/mol
LogP3.19
Rot. Bonds1

About (4-bromo-2-fluorophenyl)-(2,3-dihydropyrrolo[2,3-c]pyridin-1-yl)methanone

(4-bromo-2-fluorophenyl)-(2,3-dihydropyrrolo[2,3-c]pyridin-1-yl)methanone (PubChem CID 75450655) has the molecular formula C14H10BrFN2O and a molecular weight of 321.15 g/mol. Its IUPAC name is (4-bromo-2-fluorophenyl)-(2,3-dihydropyrrolo[2,3-c]pyridin-1-yl)methanone.

Molecular Properties

Compound Name(4-bromo-2-fluorophenyl)-(2,3-dihydropyrrolo[2,3-c]pyridin-1-yl)methanone
PubChem CID75450655
Molecular FormulaC14H10BrFN2O
Molecular Weight321.15 g/mol
Exact Mass320.00
IUPAC Name(4-bromo-2-fluorophenyl)-(2,3-dihydropyrrolo[2,3-c]pyridin-1-yl)methanone
SMILESO=C(c1ccc(Br)cc1F)N1CCc2ccncc21
InChIInChI=1S/C14H10BrFN2O/c15-10-1-2-11(12(16)7-10)14(19)18-6-4-9-3-5-17-8-13(9)18/h1-3,5,7-8H,4,6H2
InChIKeyFDVPPJLMKSCJRU-UHFFFAOYSA-N
XLogP3.19
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.15
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-fluorophenyl)-(2,3-dihydropyrrolo[2,3-c]pyridin-1-yl)methanone?
The IUPAC name of (4-bromo-2-fluorophenyl)-(2,3-dihydropyrrolo[2,3-c]pyridin-1-yl)methanone (CID 75450655) is (4-bromo-2-fluorophenyl)-(2,3-dihydropyrrolo[2,3-c]pyridin-1-yl)methanone.
What is the SMILES notation for (4-bromo-2-fluorophenyl)-(2,3-dihydropyrrolo[2,3-c]pyridin-1-yl)methanone?
The canonical SMILES for (4-bromo-2-fluorophenyl)-(2,3-dihydropyrrolo[2,3-c]pyridin-1-yl)methanone is O=C(c1ccc(Br)cc1F)N1CCc2ccncc21.
What is the InChIKey of (4-bromo-2-fluorophenyl)-(2,3-dihydropyrrolo[2,3-c]pyridin-1-yl)methanone?
The InChIKey is FDVPPJLMKSCJRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrFN2O/c15-10-1-2-11(12(16)7-10)14(19)18-6-4-9-3-5-17-8-13(9)18/h1-3,5,7-8H,4,6H2.
What are the key properties of (4-bromo-2-fluorophenyl)-(2,3-dihydropyrrolo[2,3-c]pyridin-1-yl)methanone?
(4-bromo-2-fluorophenyl)-(2,3-dihydropyrrolo[2,3-c]pyridin-1-yl)methanone has a molecular weight of 321.15 g/mol, XLogP of 3.19, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-fluorophenyl)-(2,3-dihydropyrrolo[2,3-c]pyridin-1-yl)methanone is sourced from PubChem (CID 75450655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).