2,3-dihydropyrrolo[2,3-b]pyridine-1,2-dicarboxylic acid

C9H8N2O4 — CID 91038203

IUPAC2,3-dihydropyrrolo[2,3-b]pyridine-1,2-dicarboxylic acid
SMILESO=C(O)C1Cc2cccnc2N1C(=O)O
InChIInChI=1S/C9H8N2O4/c12-8(13)6-4-5-2-1-3-10-7(5)11(6)9(14)15/h1-3,6H,4H2,(H,12,13)(H,14,15)
InChIKeyFVVUGWRBMJTLRZ-UHFFFAOYSA-N
MW208.17 g/mol
LogP0.58
Rot. Bonds1

About 2,3-dihydropyrrolo[2,3-b]pyridine-1,2-dicarboxylic acid

2,3-dihydropyrrolo[2,3-b]pyridine-1,2-dicarboxylic acid (PubChem CID 91038203) has the molecular formula C9H8N2O4 and a molecular weight of 208.17 g/mol. Its IUPAC name is 2,3-dihydropyrrolo[2,3-b]pyridine-1,2-dicarboxylic acid.

Molecular Properties

Compound Name2,3-dihydropyrrolo[2,3-b]pyridine-1,2-dicarboxylic acid
PubChem CID91038203
Molecular FormulaC9H8N2O4
Molecular Weight208.17 g/mol
Exact Mass208.05
IUPAC Name2,3-dihydropyrrolo[2,3-b]pyridine-1,2-dicarboxylic acid
SMILESO=C(O)C1Cc2cccnc2N1C(=O)O
InChIInChI=1S/C9H8N2O4/c12-8(13)6-4-5-2-1-3-10-7(5)11(6)9(14)15/h1-3,6H,4H2,(H,12,13)(H,14,15)
InChIKeyFVVUGWRBMJTLRZ-UHFFFAOYSA-N
XLogP0.58
TPSA90.73 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.17
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]-2,3-dihydropyrrolo[2,3-b]pyridine-2-carboxylic acid
CID 130277110
1-[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]-2,3-dihydropyrrolo[2,3-b]pyridine-2-carboxylic acid
CID 118354538
1-[2-[[(2S,3S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]acetyl]-2,3-dihydropyrrolo[2,3-b]pyridine-2-carboxylic acid
CID 130275852
(2S)-1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-4-phenylmethoxybutanoyl]-2,3-dihydropyrrolo[2,3-b]pyridine-2-carboxylic acid
CID 130276081
1-acetyl-2,3-dihydropyrrolo[3,2-b]pyridine-2-carboxylic acid
CID 167733667
1-(3-hydroxy-2-pyridinyl)piperidine-2-carboxylic acid
CID 71649558
1-acetyl-2,3-dihydroindole-2-carboxylic acid
CID 10058771
4-hydroxy-1-[3-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxylic acid
CID 16794593
[2-oxo-2-[2-(2H-triazol-4-ylmethylcarbamoyl)-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]ethyl]carbamic acid
CID 130276100
1-(3-hydroxy-2-pyridinyl)piperazine-2-carboxylic acid;hydrochloride
CID 71646293
1-(3-amino-2-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168692272
(3S)-2-[(2-amino-3-pyridinyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 99929515

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydropyrrolo[2,3-b]pyridine-1,2-dicarboxylic acid?
The IUPAC name of 2,3-dihydropyrrolo[2,3-b]pyridine-1,2-dicarboxylic acid (CID 91038203) is 2,3-dihydropyrrolo[2,3-b]pyridine-1,2-dicarboxylic acid.
What is the SMILES notation for 2,3-dihydropyrrolo[2,3-b]pyridine-1,2-dicarboxylic acid?
The canonical SMILES for 2,3-dihydropyrrolo[2,3-b]pyridine-1,2-dicarboxylic acid is O=C(O)C1Cc2cccnc2N1C(=O)O.
What is the InChIKey of 2,3-dihydropyrrolo[2,3-b]pyridine-1,2-dicarboxylic acid?
The InChIKey is FVVUGWRBMJTLRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O4/c12-8(13)6-4-5-2-1-3-10-7(5)11(6)9(14)15/h1-3,6H,4H2,(H,12,13)(H,14,15).
What are the key properties of 2,3-dihydropyrrolo[2,3-b]pyridine-1,2-dicarboxylic acid?
2,3-dihydropyrrolo[2,3-b]pyridine-1,2-dicarboxylic acid has a molecular weight of 208.17 g/mol, XLogP of 0.58, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydropyrrolo[2,3-b]pyridine-1,2-dicarboxylic acid is sourced from PubChem (CID 91038203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).