2-methyl-7-oxo-3,6-dihydro-1H-pyrrolo[2,3-c]pyridine-2-carboxylic acid

C9H10N2O3 — CID 151200997

IUPAC2-methyl-7-oxo-3,6-dihydro-1H-pyrrolo[2,3-c]pyridine-2-carboxylic acid
SMILESCC1(C(=O)O)Cc2cc[nH]c(=O)c2N1
InChIInChI=1S/C9H10N2O3/c1-9(8(13)14)4-5-2-3-10-7(12)6(5)11-9/h2-3,11H,4H2,1H3,(H,10,12)(H,13,14)
InChIKeyNIHNXBLHQBCFLU-UHFFFAOYSA-N
MW194.19 g/mol
LogP0.19
Rot. Bonds1

About 2-methyl-7-oxo-3,6-dihydro-1H-pyrrolo[2,3-c]pyridine-2-carboxylic acid

2-methyl-7-oxo-3,6-dihydro-1H-pyrrolo[2,3-c]pyridine-2-carboxylic acid (PubChem CID 151200997) has the molecular formula C9H10N2O3 and a molecular weight of 194.19 g/mol. Its IUPAC name is 2-methyl-7-oxo-3,6-dihydro-1H-pyrrolo[2,3-c]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name2-methyl-7-oxo-3,6-dihydro-1H-pyrrolo[2,3-c]pyridine-2-carboxylic acid
PubChem CID151200997
Molecular FormulaC9H10N2O3
Molecular Weight194.19 g/mol
Exact Mass194.07
IUPAC Name2-methyl-7-oxo-3,6-dihydro-1H-pyrrolo[2,3-c]pyridine-2-carboxylic acid
SMILESCC1(C(=O)O)Cc2cc[nH]c(=O)c2N1
InChIInChI=1S/C9H10N2O3/c1-9(8(13)14)4-5-2-3-10-7(12)6(5)11-9/h2-3,11H,4H2,1H3,(H,10,12)(H,13,14)
InChIKeyNIHNXBLHQBCFLU-UHFFFAOYSA-N
XLogP0.19
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5,6-dihydroxy-2-methyl-1,3-dihydroindole-2-carboxylic acid
CID 123269771
6-methyl-1-oxo-5,7-dihydro-2H-cyclopenta[c]pyridine-6-carbonitrile
CID 166893008
4-chloro-2-methyl-1,3-dihydroindole-2-carboxylic acid
CID 117193289
3-tert-butyl-2-oxo-1H-pyridine-4-carboxylic acid
CID 82400523
2-methyl-4-(trifluoromethyl)-1,3-dihydroindole-2-carboxylic acid
CID 117193277
7-hydroxy-2-methyl-3,4-dihydro-1H-quinoline-2-carboxylic acid
CID 117193469
3-methyl-4-(2-oxo-1H-imidazol-3-yl)oxolane-3-carboxylic acid
CID 103124434
5,5-dimethyl-1,6-dihydroindole-4,7-dione
CID 70182304
2-oxo-3-phenyl-1H-pyridine-4-carboxylic acid
CID 46314978
3-methyl-2-oxo-1,4-dihydroquinoline-3-carboxylic acid
CID 19820541
7-acetyl-4a-methyl-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-f]indolizin-9-one
CID 163647671
2,5-dihydrocyclohepta[c]pyridin-1-one
CID 143158045

Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-oxo-3,6-dihydro-1H-pyrrolo[2,3-c]pyridine-2-carboxylic acid?
The IUPAC name of 2-methyl-7-oxo-3,6-dihydro-1H-pyrrolo[2,3-c]pyridine-2-carboxylic acid (CID 151200997) is 2-methyl-7-oxo-3,6-dihydro-1H-pyrrolo[2,3-c]pyridine-2-carboxylic acid.
What is the SMILES notation for 2-methyl-7-oxo-3,6-dihydro-1H-pyrrolo[2,3-c]pyridine-2-carboxylic acid?
The canonical SMILES for 2-methyl-7-oxo-3,6-dihydro-1H-pyrrolo[2,3-c]pyridine-2-carboxylic acid is CC1(C(=O)O)Cc2cc[nH]c(=O)c2N1.
What is the InChIKey of 2-methyl-7-oxo-3,6-dihydro-1H-pyrrolo[2,3-c]pyridine-2-carboxylic acid?
The InChIKey is NIHNXBLHQBCFLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3/c1-9(8(13)14)4-5-2-3-10-7(12)6(5)11-9/h2-3,11H,4H2,1H3,(H,10,12)(H,13,14).
What are the key properties of 2-methyl-7-oxo-3,6-dihydro-1H-pyrrolo[2,3-c]pyridine-2-carboxylic acid?
2-methyl-7-oxo-3,6-dihydro-1H-pyrrolo[2,3-c]pyridine-2-carboxylic acid has a molecular weight of 194.19 g/mol, XLogP of 0.19, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-oxo-3,6-dihydro-1H-pyrrolo[2,3-c]pyridine-2-carboxylic acid is sourced from PubChem (CID 151200997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).