2-formyl-1H-pyrrolo[2,3-c]pyridine-5-carboxylic acid

C9H6N2O3 — CID 82404270

IUPAC2-formyl-1H-pyrrolo[2,3-c]pyridine-5-carboxylic acid
SMILESO=Cc1cc2cc(C(=O)O)ncc2[nH]1
InChIInChI=1S/C9H6N2O3/c12-4-6-1-5-2-7(9(13)14)10-3-8(5)11-6/h1-4,11H,(H,13,14)
InChIKeyZZYBYIXTECWDSW-UHFFFAOYSA-N
MW190.16 g/mol
LogP1.07
Rot. Bonds2

About 2-formyl-1H-pyrrolo[2,3-c]pyridine-5-carboxylic acid

2-formyl-1H-pyrrolo[2,3-c]pyridine-5-carboxylic acid (PubChem CID 82404270) has the molecular formula C9H6N2O3 and a molecular weight of 190.16 g/mol. Its IUPAC name is 2-formyl-1H-pyrrolo[2,3-c]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name2-formyl-1H-pyrrolo[2,3-c]pyridine-5-carboxylic acid
PubChem CID82404270
Molecular FormulaC9H6N2O3
Molecular Weight190.16 g/mol
Exact Mass190.04
IUPAC Name2-formyl-1H-pyrrolo[2,3-c]pyridine-5-carboxylic acid
SMILESO=Cc1cc2cc(C(=O)O)ncc2[nH]1
InChIInChI=1S/C9H6N2O3/c12-4-6-1-5-2-7(9(13)14)10-3-8(5)11-6/h1-4,11H,(H,13,14)
InChIKeyZZYBYIXTECWDSW-UHFFFAOYSA-N
XLogP1.07
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.16
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

Ethyl Beta-Carboline-3-Carboxylate
CID 105078
Methyl 9H-pyrido(3,4-b)indole-3-carboxylate
CID 107704
Propyl beta-carboline-3-carboxylate
CID 123662
9H-Pyrido(3,4-b)indole-3-carboxylic acid
CID 173262
Harman-3-Carboxylic Acid
CID 5406157
Nbbcc
CID 128618
ethyl 6-iodo-9H-pyrido[3,4-b]indole-3-carboxylate
CID 13037317
Pityriacitrin B
CID 56649543
9H-pyrido(3,4-b)indole-1-carboxylic acid
CID 15573079
1H-Pyrrolo[3,2-c]pyridine-4-carboxylic acid
CID 26076437
sec-butyl 9H-pyrido[3,4-b]indole-3-carboxylate
CID 14151061
methyl 4-ethyl-9H-pyrido[3,4-b]indole-3-carboxylate
CID 12795669

Frequently Asked Questions

What is the IUPAC name of 2-formyl-1H-pyrrolo[2,3-c]pyridine-5-carboxylic acid?
The IUPAC name of 2-formyl-1H-pyrrolo[2,3-c]pyridine-5-carboxylic acid (CID 82404270) is 2-formyl-1H-pyrrolo[2,3-c]pyridine-5-carboxylic acid.
What is the SMILES notation for 2-formyl-1H-pyrrolo[2,3-c]pyridine-5-carboxylic acid?
The canonical SMILES for 2-formyl-1H-pyrrolo[2,3-c]pyridine-5-carboxylic acid is O=Cc1cc2cc(C(=O)O)ncc2[nH]1.
What is the InChIKey of 2-formyl-1H-pyrrolo[2,3-c]pyridine-5-carboxylic acid?
The InChIKey is ZZYBYIXTECWDSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N2O3/c12-4-6-1-5-2-7(9(13)14)10-3-8(5)11-6/h1-4,11H,(H,13,14).
What are the key properties of 2-formyl-1H-pyrrolo[2,3-c]pyridine-5-carboxylic acid?
2-formyl-1H-pyrrolo[2,3-c]pyridine-5-carboxylic acid has a molecular weight of 190.16 g/mol, XLogP of 1.07, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-formyl-1H-pyrrolo[2,3-c]pyridine-5-carboxylic acid is sourced from PubChem (CID 82404270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).