1-[(3-fluorophenyl)methyl]-N-hydroxypyrrolo[3,2-b]pyridine-6-carboxamide

C15H12FN3O2 — CID 87266104

IUPAC1-[(3-fluorophenyl)methyl]-N-hydroxypyrrolo[3,2-b]pyridine-6-carboxamide
SMILESO=C(NO)c1cnc2ccn(Cc3cccc(F)c3)c2c1
InChIInChI=1S/C15H12FN3O2/c16-12-3-1-2-10(6-12)9-19-5-4-13-14(19)7-11(8-17-13)15(20)18-21/h1-8,21H,9H2,(H,18,20)
InChIKeyAQLUNYFUECFTOX-UHFFFAOYSA-N
MW285.28 g/mol
LogP2.34
Rot. Bonds3

About 1-[(3-fluorophenyl)methyl]-N-hydroxypyrrolo[3,2-b]pyridine-6-carboxamide

1-[(3-fluorophenyl)methyl]-N-hydroxypyrrolo[3,2-b]pyridine-6-carboxamide (PubChem CID 87266104) has the molecular formula C15H12FN3O2 and a molecular weight of 285.28 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]-N-hydroxypyrrolo[3,2-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]-N-hydroxypyrrolo[3,2-b]pyridine-6-carboxamide
PubChem CID87266104
Molecular FormulaC15H12FN3O2
Molecular Weight285.28 g/mol
Exact Mass285.09
IUPAC Name1-[(3-fluorophenyl)methyl]-N-hydroxypyrrolo[3,2-b]pyridine-6-carboxamide
SMILESO=C(NO)c1cnc2ccn(Cc3cccc(F)c3)c2c1
InChIInChI=1S/C15H12FN3O2/c16-12-3-1-2-10(6-12)9-19-5-4-13-14(19)7-11(8-17-13)15(20)18-21/h1-8,21H,9H2,(H,18,20)
InChIKeyAQLUNYFUECFTOX-UHFFFAOYSA-N
XLogP2.34
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.28
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', '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 1-[(3-fluorophenyl)methyl]-N-hydroxypyrrolo[3,2-b]pyridine-6-carboxamide?
The IUPAC name of 1-[(3-fluorophenyl)methyl]-N-hydroxypyrrolo[3,2-b]pyridine-6-carboxamide (CID 87266104) is 1-[(3-fluorophenyl)methyl]-N-hydroxypyrrolo[3,2-b]pyridine-6-carboxamide.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]-N-hydroxypyrrolo[3,2-b]pyridine-6-carboxamide?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]-N-hydroxypyrrolo[3,2-b]pyridine-6-carboxamide is O=C(NO)c1cnc2ccn(Cc3cccc(F)c3)c2c1.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]-N-hydroxypyrrolo[3,2-b]pyridine-6-carboxamide?
The InChIKey is AQLUNYFUECFTOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O2/c16-12-3-1-2-10(6-12)9-19-5-4-13-14(19)7-11(8-17-13)15(20)18-21/h1-8,21H,9H2,(H,18,20).
What are the key properties of 1-[(3-fluorophenyl)methyl]-N-hydroxypyrrolo[3,2-b]pyridine-6-carboxamide?
1-[(3-fluorophenyl)methyl]-N-hydroxypyrrolo[3,2-b]pyridine-6-carboxamide has a molecular weight of 285.28 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methyl]-N-hydroxypyrrolo[3,2-b]pyridine-6-carboxamide is sourced from PubChem (CID 87266104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).