2-iodo-1H-pyrrolo[3,2-c]pyridine-4-carboxylic acid

C8H5IN2O2 — CID 123135043

IUPAC2-iodo-1H-pyrrolo[3,2-c]pyridine-4-carboxylic acid
SMILESO=C(O)c1nccc2[nH]c(I)cc12
InChIInChI=1S/C8H5IN2O2/c9-6-3-4-5(11-6)1-2-10-7(4)8(12)13/h1-3,11H,(H,12,13)
InChIKeyNYSOCDGKZAOPRM-UHFFFAOYSA-N
MW288.04 g/mol
LogP1.87
Rot. Bonds1

About 2-iodo-1H-pyrrolo[3,2-c]pyridine-4-carboxylic acid

2-iodo-1H-pyrrolo[3,2-c]pyridine-4-carboxylic acid (PubChem CID 123135043) has the molecular formula C8H5IN2O2 and a molecular weight of 288.04 g/mol. Its IUPAC name is 2-iodo-1H-pyrrolo[3,2-c]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-iodo-1H-pyrrolo[3,2-c]pyridine-4-carboxylic acid
PubChem CID123135043
Molecular FormulaC8H5IN2O2
Molecular Weight288.04 g/mol
Exact Mass287.94
IUPAC Name2-iodo-1H-pyrrolo[3,2-c]pyridine-4-carboxylic acid
SMILESO=C(O)c1nccc2[nH]c(I)cc12
InChIInChI=1S/C8H5IN2O2/c9-6-3-4-5(11-6)1-2-10-7(4)8(12)13/h1-3,11H,(H,12,13)
InChIKeyNYSOCDGKZAOPRM-UHFFFAOYSA-N
XLogP1.87
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.04
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-1H-pyrrolo[3,2-c]pyridine-4-carboxylic acid
CID 130047563
2-oxo-1,3-dihydroimidazo[4,5-c]pyridine-4-carboxylic acid
CID 167724244
2-methyl-1H-pyrrolo[2,3-c]pyridine-7-carboxylic acid
CID 82410975
4-methyl-1H-pyrrolo[3,2-c]pyridine-2-carboxylic acid
CID 69027498
methyl 2-iodo-1H-pyrrolo[2,3-c]pyridine-7-carboxylate
CID 174253439
palladium;pyrazine-2,3-dicarboxylic acid
CID 174785540
7-chloro-5-methylisoquinoline-1-carboxylic acid
CID 125426657
3-amino-4-(4-fluorophenyl)pyridine-2-carboxylic acid
CID 132590550
5-bromo-7-methylisoquinoline-1-carboxylic acid
CID 82572033
2,3-dihydro-[1,4]dioxino[2,3-g]isoquinoline-6-carboxylic acid
CID 82572007
5-bromoisoquinoline-1-carboxylic acid
CID 71303705
6-ethylisoquinoline-1-carboxylic acid
CID 70845015

Frequently Asked Questions

What is the IUPAC name of 2-iodo-1H-pyrrolo[3,2-c]pyridine-4-carboxylic acid?
The IUPAC name of 2-iodo-1H-pyrrolo[3,2-c]pyridine-4-carboxylic acid (CID 123135043) is 2-iodo-1H-pyrrolo[3,2-c]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-iodo-1H-pyrrolo[3,2-c]pyridine-4-carboxylic acid?
The canonical SMILES for 2-iodo-1H-pyrrolo[3,2-c]pyridine-4-carboxylic acid is O=C(O)c1nccc2[nH]c(I)cc12.
What is the InChIKey of 2-iodo-1H-pyrrolo[3,2-c]pyridine-4-carboxylic acid?
The InChIKey is NYSOCDGKZAOPRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5IN2O2/c9-6-3-4-5(11-6)1-2-10-7(4)8(12)13/h1-3,11H,(H,12,13).
What are the key properties of 2-iodo-1H-pyrrolo[3,2-c]pyridine-4-carboxylic acid?
2-iodo-1H-pyrrolo[3,2-c]pyridine-4-carboxylic acid has a molecular weight of 288.04 g/mol, XLogP of 1.87, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-1H-pyrrolo[3,2-c]pyridine-4-carboxylic acid is sourced from PubChem (CID 123135043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).