1-[(3-chloro-2-fluorophenyl)methyl]-N-hydroxypyrrolo[2,3-c]pyridine-5-carboxamide

C15H11ClFN3O2 — CID 10358601

IUPAC1-[(3-chloro-2-fluorophenyl)methyl]-N-hydroxypyrrolo[2,3-c]pyridine-5-carboxamide
SMILESO=C(NO)c1cc2ccn(Cc3cccc(Cl)c3F)c2cn1
InChIInChI=1S/C15H11ClFN3O2/c16-11-3-1-2-10(14(11)17)8-20-5-4-9-6-12(15(21)19-22)18-7-13(9)20/h1-7,22H,8H2,(H,19,21)
InChIKeyYLOSJUAVIXGMEA-UHFFFAOYSA-N
MW319.72 g/mol
LogP3.00
Rot. Bonds3

About 1-[(3-chloro-2-fluorophenyl)methyl]-N-hydroxypyrrolo[2,3-c]pyridine-5-carboxamide

1-[(3-chloro-2-fluorophenyl)methyl]-N-hydroxypyrrolo[2,3-c]pyridine-5-carboxamide (PubChem CID 10358601) has the molecular formula C15H11ClFN3O2 and a molecular weight of 319.72 g/mol. Its IUPAC name is 1-[(3-chloro-2-fluorophenyl)methyl]-N-hydroxypyrrolo[2,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound Name1-[(3-chloro-2-fluorophenyl)methyl]-N-hydroxypyrrolo[2,3-c]pyridine-5-carboxamide
PubChem CID10358601
Molecular FormulaC15H11ClFN3O2
Molecular Weight319.72 g/mol
Exact Mass319.05
IUPAC Name1-[(3-chloro-2-fluorophenyl)methyl]-N-hydroxypyrrolo[2,3-c]pyridine-5-carboxamide
SMILESO=C(NO)c1cc2ccn(Cc3cccc(Cl)c3F)c2cn1
InChIInChI=1S/C15H11ClFN3O2/c16-11-3-1-2-10(14(11)17)8-20-5-4-9-6-12(15(21)19-22)18-7-13(9)20/h1-7,22H,8H2,(H,19,21)
InChIKeyYLOSJUAVIXGMEA-UHFFFAOYSA-N
XLogP3.00
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.72
LogP ≤ 53.00
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-chloro-2-fluorophenyl)methyl]-N-hydroxypyrrolo[2,3-c]pyridine-5-carboxamide?
The IUPAC name of 1-[(3-chloro-2-fluorophenyl)methyl]-N-hydroxypyrrolo[2,3-c]pyridine-5-carboxamide (CID 10358601) is 1-[(3-chloro-2-fluorophenyl)methyl]-N-hydroxypyrrolo[2,3-c]pyridine-5-carboxamide.
What is the SMILES notation for 1-[(3-chloro-2-fluorophenyl)methyl]-N-hydroxypyrrolo[2,3-c]pyridine-5-carboxamide?
The canonical SMILES for 1-[(3-chloro-2-fluorophenyl)methyl]-N-hydroxypyrrolo[2,3-c]pyridine-5-carboxamide is O=C(NO)c1cc2ccn(Cc3cccc(Cl)c3F)c2cn1.
What is the InChIKey of 1-[(3-chloro-2-fluorophenyl)methyl]-N-hydroxypyrrolo[2,3-c]pyridine-5-carboxamide?
The InChIKey is YLOSJUAVIXGMEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFN3O2/c16-11-3-1-2-10(14(11)17)8-20-5-4-9-6-12(15(21)19-22)18-7-13(9)20/h1-7,22H,8H2,(H,19,21).
What are the key properties of 1-[(3-chloro-2-fluorophenyl)methyl]-N-hydroxypyrrolo[2,3-c]pyridine-5-carboxamide?
1-[(3-chloro-2-fluorophenyl)methyl]-N-hydroxypyrrolo[2,3-c]pyridine-5-carboxamide has a molecular weight of 319.72 g/mol, XLogP of 3.00, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chloro-2-fluorophenyl)methyl]-N-hydroxypyrrolo[2,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 10358601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).