6-methoxy-2,4-dimethyl-1,3-dihydropyrrolo[3,4-c]pyridine-7-carboxylic acid

C11H14N2O3 — CID 96606623

IUPAC6-methoxy-2,4-dimethyl-1,3-dihydropyrrolo[3,4-c]pyridine-7-carboxylic acid
SMILESCOc1nc(C)c2c(c1C(=O)O)CN(C)C2
InChIInChI=1S/C11H14N2O3/c1-6-7-4-13(2)5-8(7)9(11(14)15)10(12-6)16-3/h4-5H2,1-3H3,(H,14,15)
InChIKeyRJSXFSNITIIOKD-UHFFFAOYSA-N
MW222.24 g/mol
LogP1.04
Rot. Bonds2

About 6-methoxy-2,4-dimethyl-1,3-dihydropyrrolo[3,4-c]pyridine-7-carboxylic acid

6-methoxy-2,4-dimethyl-1,3-dihydropyrrolo[3,4-c]pyridine-7-carboxylic acid (PubChem CID 96606623) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 6-methoxy-2,4-dimethyl-1,3-dihydropyrrolo[3,4-c]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name6-methoxy-2,4-dimethyl-1,3-dihydropyrrolo[3,4-c]pyridine-7-carboxylic acid
PubChem CID96606623
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name6-methoxy-2,4-dimethyl-1,3-dihydropyrrolo[3,4-c]pyridine-7-carboxylic acid
SMILESCOc1nc(C)c2c(c1C(=O)O)CN(C)C2
InChIInChI=1S/C11H14N2O3/c1-6-7-4-13(2)5-8(7)9(11(14)15)10(12-6)16-3/h4-5H2,1-3H3,(H,14,15)
InChIKeyRJSXFSNITIIOKD-UHFFFAOYSA-N
XLogP1.04
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-methoxy-2,5-dimethylpyridine-3,4-dicarboxylic acid
CID 172832533
6-methoxy-1,3,4-trimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 105495909
5-bromo-2-methoxy-N,4,6-trimethyl-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide
CID 171547582
6-methoxy-4-methylpyridine-2,5-dicarboxylic acid
CID 91509956
1,4,6-trimethyl-5,7-dihydropyrrolo[3,4-d]pyridazine
CID 174263206
6-bromo-3-methoxy-5-methylpyrazine-2-carboxylic acid
CID 84728734
5,6-difluoro-2-methoxypyridine-3,4-dicarboxylic acid
CID 23233931
4-cyclobutyl-6-methoxy-2-methylpyrimidine-5-carboxylic acid
CID 82392231
3-amino-6-methyl-2-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-4-carboxylic acid
CID 96595547
2-methoxy-6-methyl-4-(trifluoromethyl)pyridine-3-carboxylic acid
CID 82389554
2,3,4,5,6-pentamethoxybenzoic acid
CID 623385
3-amino-2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-4-carboxylic acid
CID 82395461

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2,4-dimethyl-1,3-dihydropyrrolo[3,4-c]pyridine-7-carboxylic acid?
The IUPAC name of 6-methoxy-2,4-dimethyl-1,3-dihydropyrrolo[3,4-c]pyridine-7-carboxylic acid (CID 96606623) is 6-methoxy-2,4-dimethyl-1,3-dihydropyrrolo[3,4-c]pyridine-7-carboxylic acid.
What is the SMILES notation for 6-methoxy-2,4-dimethyl-1,3-dihydropyrrolo[3,4-c]pyridine-7-carboxylic acid?
The canonical SMILES for 6-methoxy-2,4-dimethyl-1,3-dihydropyrrolo[3,4-c]pyridine-7-carboxylic acid is COc1nc(C)c2c(c1C(=O)O)CN(C)C2.
What is the InChIKey of 6-methoxy-2,4-dimethyl-1,3-dihydropyrrolo[3,4-c]pyridine-7-carboxylic acid?
The InChIKey is RJSXFSNITIIOKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-6-7-4-13(2)5-8(7)9(11(14)15)10(12-6)16-3/h4-5H2,1-3H3,(H,14,15).
What are the key properties of 6-methoxy-2,4-dimethyl-1,3-dihydropyrrolo[3,4-c]pyridine-7-carboxylic acid?
6-methoxy-2,4-dimethyl-1,3-dihydropyrrolo[3,4-c]pyridine-7-carboxylic acid has a molecular weight of 222.24 g/mol, XLogP of 1.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2,4-dimethyl-1,3-dihydropyrrolo[3,4-c]pyridine-7-carboxylic acid is sourced from PubChem (CID 96606623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).