2-iodo-1H-indole-7-carboxamide

C9H7IN2O — CID 141436419

IUPAC2-iodo-1H-indole-7-carboxamide
SMILESNC(=O)c1cccc2cc(I)[nH]c12
InChIInChI=1S/C9H7IN2O/c10-7-4-5-2-1-3-6(9(11)13)8(5)12-7/h1-4,12H,(H2,11,13)
InChIKeyCNDQNANMLCZOHX-UHFFFAOYSA-N
MW286.07 g/mol
LogP1.87
Rot. Bonds1

About 2-iodo-1H-indole-7-carboxamide

2-iodo-1H-indole-7-carboxamide (PubChem CID 141436419) has the molecular formula C9H7IN2O and a molecular weight of 286.07 g/mol. Its IUPAC name is 2-iodo-1H-indole-7-carboxamide.

Molecular Properties

Compound Name2-iodo-1H-indole-7-carboxamide
PubChem CID141436419
Molecular FormulaC9H7IN2O
Molecular Weight286.07 g/mol
Exact Mass285.96
IUPAC Name2-iodo-1H-indole-7-carboxamide
SMILESNC(=O)c1cccc2cc(I)[nH]c12
InChIInChI=1S/C9H7IN2O/c10-7-4-5-2-1-3-6(9(11)13)8(5)12-7/h1-4,12H,(H2,11,13)
InChIKeyCNDQNANMLCZOHX-UHFFFAOYSA-N
XLogP1.87
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.07
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-naphthalen-1-yl-1H-indole-7-carboxamide
CID 22014944
azane;1H-indole-7-carboxamide
CID 174982702
3-iodonaphthalene-2-carboxamide
CID 133060342
8-(methylamino)-2-oxo-1H-quinoline-3-carboxamide
CID 156628535
2-iodobenzamide
CID 160670857
CID 70080980
CID 70080980
9H-carbazole-1-carboxamide;hydrochloride
CID 141272518
3-amino-2-iodobenzamide
CID 70101113
CID 129133768
CID 129133768
2-amino-3-iodobenzamide
CID 67497450
2-hydroxybenzene-1,3-dicarboxamide
CID 22594874
3-oxo-1,2-dihydroindazole-7-carboxamide
CID 137437210

Frequently Asked Questions

What is the IUPAC name of 2-iodo-1H-indole-7-carboxamide?
The IUPAC name of 2-iodo-1H-indole-7-carboxamide (CID 141436419) is 2-iodo-1H-indole-7-carboxamide.
What is the SMILES notation for 2-iodo-1H-indole-7-carboxamide?
The canonical SMILES for 2-iodo-1H-indole-7-carboxamide is NC(=O)c1cccc2cc(I)[nH]c12.
What is the InChIKey of 2-iodo-1H-indole-7-carboxamide?
The InChIKey is CNDQNANMLCZOHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7IN2O/c10-7-4-5-2-1-3-6(9(11)13)8(5)12-7/h1-4,12H,(H2,11,13).
What are the key properties of 2-iodo-1H-indole-7-carboxamide?
2-iodo-1H-indole-7-carboxamide has a molecular weight of 286.07 g/mol, XLogP of 1.87, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-1H-indole-7-carboxamide is sourced from PubChem (CID 141436419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).