2,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-5-carboxylic acid

C8H10N2O2 — CID 68725346

IUPAC2,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-5-carboxylic acid
SMILESO=C(O)N1CCc2c[nH]cc2C1
InChIInChI=1S/C8H10N2O2/c11-8(12)10-2-1-6-3-9-4-7(6)5-10/h3-4,9H,1-2,5H2,(H,11,12)
InChIKeyMSROAKPMMNYOHO-UHFFFAOYSA-N
MW166.18 g/mol
LogP1.05
Rot. Bonds

About 2,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-5-carboxylic acid

2,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-5-carboxylic acid (PubChem CID 68725346) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is 2,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name2,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-5-carboxylic acid
PubChem CID68725346
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name2,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-5-carboxylic acid
SMILESO=C(O)N1CCc2c[nH]cc2C1
InChIInChI=1S/C8H10N2O2/c11-8(12)10-2-1-6-3-9-4-7(6)5-10/h3-4,9H,1-2,5H2,(H,11,12)
InChIKeyMSROAKPMMNYOHO-UHFFFAOYSA-N
XLogP1.05
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

6-oxo-1,3,4,7-tetrahydro-2,7-naphthyridine-2-carboxylic acid
CID 69401533
3,4-dihydro-1H-2,6-naphthyridine-2,7-dicarboxylic acid
CID 155143574
7-(iodomethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid
CID 68876412
6-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid
CID 118007702
6-amino-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylic acid
CID 70299304
7-methyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylic acid
CID 166721469
6-bromo-8-fluoro-3,4-dihydro-1H-isoquinoline-2-carboxylic acid
CID 175442568
8-methyl-3,4-dihydro-1H-isoquinoline-2-carboxylic acid
CID 175983212
7-(aminomethyl)-3,4-dihydro-1H-2,6-naphthyridine-2-carboxylic acid
CID 175467955
7-[(E)-2-carboxyethenyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid
CID 70302477
6-(dimethylcarbamoyl)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid
CID 175419629
7-(2,4-dioxo-1,3-diazinan-1-yl)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid
CID 170350197

Frequently Asked Questions

What is the IUPAC name of 2,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-5-carboxylic acid?
The IUPAC name of 2,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-5-carboxylic acid (CID 68725346) is 2,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-5-carboxylic acid.
What is the SMILES notation for 2,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-5-carboxylic acid?
The canonical SMILES for 2,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-5-carboxylic acid is O=C(O)N1CCc2c[nH]cc2C1.
What is the InChIKey of 2,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-5-carboxylic acid?
The InChIKey is MSROAKPMMNYOHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c11-8(12)10-2-1-6-3-9-4-7(6)5-10/h3-4,9H,1-2,5H2,(H,11,12).
What are the key properties of 2,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-5-carboxylic acid?
2,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-5-carboxylic acid has a molecular weight of 166.18 g/mol, XLogP of 1.05, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-5-carboxylic acid is sourced from PubChem (CID 68725346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).