(2-bromophenyl) 2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxylate

C14H11BrN2O2 — CID 59825533

IUPAC(2-bromophenyl) 2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxylate
SMILESO=C(Oc1ccccc1Br)N1CCc2cccnc21
InChIInChI=1S/C14H11BrN2O2/c15-11-5-1-2-6-12(11)19-14(18)17-9-7-10-4-3-8-16-13(10)17/h1-6,8H,7,9H2
InChIKeyAQWWPYQJAPQDEM-UHFFFAOYSA-N
MW319.16 g/mol
LogP3.41
Rot. Bonds1

About (2-bromophenyl) 2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxylate

(2-bromophenyl) 2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxylate (PubChem CID 59825533) has the molecular formula C14H11BrN2O2 and a molecular weight of 319.16 g/mol. Its IUPAC name is (2-bromophenyl) 2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxylate.

Molecular Properties

Compound Name(2-bromophenyl) 2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxylate
PubChem CID59825533
Molecular FormulaC14H11BrN2O2
Molecular Weight319.16 g/mol
Exact Mass318.00
IUPAC Name(2-bromophenyl) 2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxylate
SMILESO=C(Oc1ccccc1Br)N1CCc2cccnc21
InChIInChI=1S/C14H11BrN2O2/c15-11-5-1-2-6-12(11)19-14(18)17-9-7-10-4-3-8-16-13(10)17/h1-6,8H,7,9H2
InChIKeyAQWWPYQJAPQDEM-UHFFFAOYSA-N
XLogP3.41
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.16
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate
CID 11831362
(3-bromo-2-pyridinyl)-(2,3-dihydroindol-1-yl)methanone
CID 107517784
5,6,7,8-tetrahydropyrido[2,3-b]azepine-9-carboxylic acid
CID 154512709
(2-bromophenyl) pyridine-2-carboxylate
CID 158339017
(2R)-1-(2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-2-[(S)-hydroxy(phenyl)methyl]but-3-en-1-one
CID 177465399
2-[1-(2,3-dihydropyrrolo[2,3-b]pyridine-1-carbonyl)piperidin-4-ylidene]-2-(4-fluorophenyl)acetonitrile
CID 166108463
(2S,3R)-1-(2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-3-hydroxy-4-(2-methylphenyl)-2-(trifluoromethyl)butane-1,4-dione
CID 177491351
2,3-dihydropyrrolo[2,3-b]pyridin-1-yl-[3-(4-fluorophenyl)imidazo[1,5-a]pyridin-1-yl]methanone
CID 70943840
1-[2-(2-bromophenoxy)acetyl]-2,3-dihydroindole-5-sulfonamide
CID 55448423
tert-butyl N-[(1R,2R)-3-(2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-2-methyl-3-oxo-1-phenylpropyl]carbamate
CID 139048627
1-(2,3-dihydroindol-1-yl)-2-quinolin-8-yloxyethanone
CID 757469
2,3-dihydropyrrolo[2,3-b]pyridin-1-yl-[3-(4-fluorophenyl)-2H-imidazo[1,5-a]pyridin-4-ium-1-yl]methanone
CID 58024062

Frequently Asked Questions

What is the IUPAC name of (2-bromophenyl) 2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxylate?
The IUPAC name of (2-bromophenyl) 2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxylate (CID 59825533) is (2-bromophenyl) 2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxylate.
What is the SMILES notation for (2-bromophenyl) 2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxylate?
The canonical SMILES for (2-bromophenyl) 2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxylate is O=C(Oc1ccccc1Br)N1CCc2cccnc21.
What is the InChIKey of (2-bromophenyl) 2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxylate?
The InChIKey is AQWWPYQJAPQDEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2O2/c15-11-5-1-2-6-12(11)19-14(18)17-9-7-10-4-3-8-16-13(10)17/h1-6,8H,7,9H2.
What are the key properties of (2-bromophenyl) 2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxylate?
(2-bromophenyl) 2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxylate has a molecular weight of 319.16 g/mol, XLogP of 3.41, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromophenyl) 2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxylate is sourced from PubChem (CID 59825533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).