5-(2-fluoro-4-iodoanilino)-N-hydroxyimidazo[1,5-a]pyridine-6-carboxamide

C14H10FIN4O2 — CID 118713120

IUPAC5-(2-fluoro-4-iodoanilino)-N-hydroxyimidazo[1,5-a]pyridine-6-carboxamide
SMILESO=C(NO)c1ccc2cncn2c1Nc1ccc(I)cc1F
InChIInChI=1S/C14H10FIN4O2/c15-11-5-8(16)1-4-12(11)18-13-10(14(21)19-22)3-2-9-6-17-7-20(9)13/h1-7,18,22H,(H,19,21)
InChIKeyHDBZNLMBNYLPHD-UHFFFAOYSA-N
MW412.16 g/mol
LogP2.94
Rot. Bonds3

About 5-(2-fluoro-4-iodoanilino)-N-hydroxyimidazo[1,5-a]pyridine-6-carboxamide

5-(2-fluoro-4-iodoanilino)-N-hydroxyimidazo[1,5-a]pyridine-6-carboxamide (PubChem CID 118713120) has the molecular formula C14H10FIN4O2 and a molecular weight of 412.16 g/mol. Its IUPAC name is 5-(2-fluoro-4-iodoanilino)-N-hydroxyimidazo[1,5-a]pyridine-6-carboxamide.

Molecular Properties

Compound Name5-(2-fluoro-4-iodoanilino)-N-hydroxyimidazo[1,5-a]pyridine-6-carboxamide
PubChem CID118713120
Molecular FormulaC14H10FIN4O2
Molecular Weight412.16 g/mol
Exact Mass411.98
IUPAC Name5-(2-fluoro-4-iodoanilino)-N-hydroxyimidazo[1,5-a]pyridine-6-carboxamide
SMILESO=C(NO)c1ccc2cncn2c1Nc1ccc(I)cc1F
InChIInChI=1S/C14H10FIN4O2/c15-11-5-8(16)1-4-12(11)18-13-10(14(21)19-22)3-2-9-6-17-7-20(9)13/h1-7,18,22H,(H,19,21)
InChIKeyHDBZNLMBNYLPHD-UHFFFAOYSA-N
XLogP2.94
TPSA78.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.16
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoro-4-iodoanilino)-N-hydroxyimidazo[1,5-a]pyridine-6-carboxamide?
The IUPAC name of 5-(2-fluoro-4-iodoanilino)-N-hydroxyimidazo[1,5-a]pyridine-6-carboxamide (CID 118713120) is 5-(2-fluoro-4-iodoanilino)-N-hydroxyimidazo[1,5-a]pyridine-6-carboxamide.
What is the SMILES notation for 5-(2-fluoro-4-iodoanilino)-N-hydroxyimidazo[1,5-a]pyridine-6-carboxamide?
The canonical SMILES for 5-(2-fluoro-4-iodoanilino)-N-hydroxyimidazo[1,5-a]pyridine-6-carboxamide is O=C(NO)c1ccc2cncn2c1Nc1ccc(I)cc1F.
What is the InChIKey of 5-(2-fluoro-4-iodoanilino)-N-hydroxyimidazo[1,5-a]pyridine-6-carboxamide?
The InChIKey is HDBZNLMBNYLPHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FIN4O2/c15-11-5-8(16)1-4-12(11)18-13-10(14(21)19-22)3-2-9-6-17-7-20(9)13/h1-7,18,22H,(H,19,21).
What are the key properties of 5-(2-fluoro-4-iodoanilino)-N-hydroxyimidazo[1,5-a]pyridine-6-carboxamide?
5-(2-fluoro-4-iodoanilino)-N-hydroxyimidazo[1,5-a]pyridine-6-carboxamide has a molecular weight of 412.16 g/mol, XLogP of 2.94, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoro-4-iodoanilino)-N-hydroxyimidazo[1,5-a]pyridine-6-carboxamide is sourced from PubChem (CID 118713120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).