2-formylpyrrolo[3,2-c]pyridine-1-carboxylic acid

C9H6N2O3 — CID 91024481

IUPAC2-formylpyrrolo[3,2-c]pyridine-1-carboxylic acid
SMILESO=Cc1cc2cnccc2n1C(=O)O
InChIInChI=1S/C9H6N2O3/c12-5-7-3-6-4-10-2-1-8(6)11(7)9(13)14/h1-5H,(H,13,14)
InChIKeyKHHQCMKAHPUAJP-UHFFFAOYSA-N
MW190.16 g/mol
LogP1.37
Rot. Bonds1

About 2-formylpyrrolo[3,2-c]pyridine-1-carboxylic acid

2-formylpyrrolo[3,2-c]pyridine-1-carboxylic acid (PubChem CID 91024481) has the molecular formula C9H6N2O3 and a molecular weight of 190.16 g/mol. Its IUPAC name is 2-formylpyrrolo[3,2-c]pyridine-1-carboxylic acid.

Molecular Properties

Compound Name2-formylpyrrolo[3,2-c]pyridine-1-carboxylic acid
PubChem CID91024481
Molecular FormulaC9H6N2O3
Molecular Weight190.16 g/mol
Exact Mass190.04
IUPAC Name2-formylpyrrolo[3,2-c]pyridine-1-carboxylic acid
SMILESO=Cc1cc2cnccc2n1C(=O)O
InChIInChI=1S/C9H6N2O3/c12-5-7-3-6-4-10-2-1-8(6)11(7)9(13)14/h1-5H,(H,13,14)
InChIKeyKHHQCMKAHPUAJP-UHFFFAOYSA-N
XLogP1.37
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.16
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-methylpyrrolo[3,2-c]pyridine-2-carbaldehyde
CID 82415580
1-acetyl-1,6-naphthyridin-2-one
CID 141166570
tert-butyl 2-phenylpyrrolo[3,2-c]pyridine-1-carboxylate
CID 69193959
2-(2-oxo-1,6-naphthyridin-1-yl)acetic acid
CID 68785258
3-pyrrolo[3,2-c]pyridin-1-ylpropanoic acid
CID 84818030
isoquinoline-7-carboxylic acid
CID 18468721
but-2-enedioic acid;isoquinoline
CID 66628488
tert-butyl 2-(4-iodobenzoyl)pyrrolo[3,2-c]pyridine-1-carboxylate
CID 138534617
(2E)-2-(8-prop-1-en-2-yl-7,8-dihydropyrido[4,3-e]pyrrolizin-6-ylidene)acetic acid
CID 68861508
3-chloropyrrolo[3,2-c]pyridine-1-carboxylic acid
CID 123312715
ethane;1-methylpyrrolo[3,2-c]pyridin-2-amine
CID 142426543
acetic acid;isoquinoline
CID 66713221

Frequently Asked Questions

What is the IUPAC name of 2-formylpyrrolo[3,2-c]pyridine-1-carboxylic acid?
The IUPAC name of 2-formylpyrrolo[3,2-c]pyridine-1-carboxylic acid (CID 91024481) is 2-formylpyrrolo[3,2-c]pyridine-1-carboxylic acid.
What is the SMILES notation for 2-formylpyrrolo[3,2-c]pyridine-1-carboxylic acid?
The canonical SMILES for 2-formylpyrrolo[3,2-c]pyridine-1-carboxylic acid is O=Cc1cc2cnccc2n1C(=O)O.
What is the InChIKey of 2-formylpyrrolo[3,2-c]pyridine-1-carboxylic acid?
The InChIKey is KHHQCMKAHPUAJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N2O3/c12-5-7-3-6-4-10-2-1-8(6)11(7)9(13)14/h1-5H,(H,13,14).
What are the key properties of 2-formylpyrrolo[3,2-c]pyridine-1-carboxylic acid?
2-formylpyrrolo[3,2-c]pyridine-1-carboxylic acid has a molecular weight of 190.16 g/mol, XLogP of 1.37, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-formylpyrrolo[3,2-c]pyridine-1-carboxylic acid is sourced from PubChem (CID 91024481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).