5-bromo-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;5-bromopyridine-2,3-diamine

C12H11Br2N5O — CID 158300570

IUPAC5-bromo-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;5-bromopyridine-2,3-diamine
SMILESNc1cc(Br)cnc1N.O=C1Cc2cc(Br)cnc2N1
InChIInChI=1S/C7H5BrN2O.C5H6BrN3/c8-5-1-4-2-6(11)10-7(4)9-3-5;6-3-1-4(7)5(8)9-2-3/h1,3H,2H2,(H,9,10,11);1-2H,7H2,(H2,8,9)
InChIKeyGMLIWFLKAJSHID-UHFFFAOYSA-N
MW401.06 g/mol
LogP2.35
Rot. Bonds

About 5-bromo-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;5-bromopyridine-2,3-diamine

5-bromo-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;5-bromopyridine-2,3-diamine (PubChem CID 158300570) has the molecular formula C12H11Br2N5O and a molecular weight of 401.06 g/mol. Its IUPAC name is 5-bromo-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;5-bromopyridine-2,3-diamine.

Molecular Properties

Compound Name5-bromo-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;5-bromopyridine-2,3-diamine
PubChem CID158300570
Molecular FormulaC12H11Br2N5O
Molecular Weight401.06 g/mol
Exact Mass398.93
IUPAC Name5-bromo-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;5-bromopyridine-2,3-diamine
SMILESNc1cc(Br)cnc1N.O=C1Cc2cc(Br)cnc2N1
InChIInChI=1S/C7H5BrN2O.C5H6BrN3/c8-5-1-4-2-6(11)10-7(4)9-3-5;6-3-1-4(7)5(8)9-2-3/h1,3H,2H2,(H,9,10,11);1-2H,7H2,(H2,8,9)
InChIKeyGMLIWFLKAJSHID-UHFFFAOYSA-N
XLogP2.35
TPSA106.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.06
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-bromo-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;5-bromopyridine-2,3-diamine with MolForge

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Related Compounds

6-bromo-3,4-dihydro-1H-1,8-naphthyridin-2-one;hydrochloride
CID 155892914
5-bromopyridine-2,3-diamine;ethane
CID 90880932
7-bromo-2-oxo-3,5-dihydro-1H-pyrido[2,3-e][1,4]diazepine-4-carbaldehyde
CID 144843933
2-oxo-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonitrile
CID 66570659
5-pyrimidin-5-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
CID 101123211
6-bromo-3-methyl-1,4-dihydropyrido[2,3-d]pyrimidin-2-one
CID 22139127
CID 140659181
CID 140659181
2-(7-bromo-2-oxo-3,5-dihydro-1H-pyrido[2,3-e][1,4]diazepin-4-yl)acetic acid;hydrochloride
CID 66967063
5-bromo-3-(bromomethyl)pyridin-2-amine;7-bromo-1,5-dihydropyrido[2,3-e][1,4]oxazepin-2-one;ethyl 2-[(2-amino-5-bromo-3-pyridinyl)methoxy]acetate
CID 158304742
5-thiophen-3-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
CID 15504071
5-(2-phenylethynyl)-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
CID 15504064
CID 90143075
CID 90143075

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;5-bromopyridine-2,3-diamine?
The IUPAC name of 5-bromo-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;5-bromopyridine-2,3-diamine (CID 158300570) is 5-bromo-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;5-bromopyridine-2,3-diamine.
What is the SMILES notation for 5-bromo-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;5-bromopyridine-2,3-diamine?
The canonical SMILES for 5-bromo-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;5-bromopyridine-2,3-diamine is Nc1cc(Br)cnc1N.O=C1Cc2cc(Br)cnc2N1.
What is the InChIKey of 5-bromo-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;5-bromopyridine-2,3-diamine?
The InChIKey is GMLIWFLKAJSHID-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrN2O.C5H6BrN3/c8-5-1-4-2-6(11)10-7(4)9-3-5;6-3-1-4(7)5(8)9-2-3/h1,3H,2H2,(H,9,10,11);1-2H,7H2,(H2,8,9).
What are the key properties of 5-bromo-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;5-bromopyridine-2,3-diamine?
5-bromo-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;5-bromopyridine-2,3-diamine has a molecular weight of 401.06 g/mol, XLogP of 2.35, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;5-bromopyridine-2,3-diamine is sourced from PubChem (CID 158300570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).