1-[(2-chloro-4-fluorophenyl)methyl]-N-hydroxypyrrolo[2,3-b]pyridine-6-carboxamide

C15H11ClFN3O2 — CID 87266124

IUPAC1-[(2-chloro-4-fluorophenyl)methyl]-N-hydroxypyrrolo[2,3-b]pyridine-6-carboxamide
SMILESO=C(NO)c1ccc2ccn(Cc3ccc(F)cc3Cl)c2n1
InChIInChI=1S/C15H11ClFN3O2/c16-12-7-11(17)3-1-10(12)8-20-6-5-9-2-4-13(15(21)19-22)18-14(9)20/h1-7,22H,8H2,(H,19,21)
InChIKeyKXZRUJDDRUIBEC-UHFFFAOYSA-N
MW319.72 g/mol
LogP3.00
Rot. Bonds3

About 1-[(2-chloro-4-fluorophenyl)methyl]-N-hydroxypyrrolo[2,3-b]pyridine-6-carboxamide

1-[(2-chloro-4-fluorophenyl)methyl]-N-hydroxypyrrolo[2,3-b]pyridine-6-carboxamide (PubChem CID 87266124) has the molecular formula C15H11ClFN3O2 and a molecular weight of 319.72 g/mol. Its IUPAC name is 1-[(2-chloro-4-fluorophenyl)methyl]-N-hydroxypyrrolo[2,3-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name1-[(2-chloro-4-fluorophenyl)methyl]-N-hydroxypyrrolo[2,3-b]pyridine-6-carboxamide
PubChem CID87266124
Molecular FormulaC15H11ClFN3O2
Molecular Weight319.72 g/mol
Exact Mass319.05
IUPAC Name1-[(2-chloro-4-fluorophenyl)methyl]-N-hydroxypyrrolo[2,3-b]pyridine-6-carboxamide
SMILESO=C(NO)c1ccc2ccn(Cc3ccc(F)cc3Cl)c2n1
InChIInChI=1S/C15H11ClFN3O2/c16-12-7-11(17)3-1-10(12)8-20-6-5-9-2-4-13(15(21)19-22)18-14(9)20/h1-7,22H,8H2,(H,19,21)
InChIKeyKXZRUJDDRUIBEC-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-[(2-chloro-4-fluorophenyl)methyl]-N-hydroxypyrrolo[2,3-b]pyridine-6-carboxamide?
The IUPAC name of 1-[(2-chloro-4-fluorophenyl)methyl]-N-hydroxypyrrolo[2,3-b]pyridine-6-carboxamide (CID 87266124) is 1-[(2-chloro-4-fluorophenyl)methyl]-N-hydroxypyrrolo[2,3-b]pyridine-6-carboxamide.
What is the SMILES notation for 1-[(2-chloro-4-fluorophenyl)methyl]-N-hydroxypyrrolo[2,3-b]pyridine-6-carboxamide?
The canonical SMILES for 1-[(2-chloro-4-fluorophenyl)methyl]-N-hydroxypyrrolo[2,3-b]pyridine-6-carboxamide is O=C(NO)c1ccc2ccn(Cc3ccc(F)cc3Cl)c2n1.
What is the InChIKey of 1-[(2-chloro-4-fluorophenyl)methyl]-N-hydroxypyrrolo[2,3-b]pyridine-6-carboxamide?
The InChIKey is KXZRUJDDRUIBEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFN3O2/c16-12-7-11(17)3-1-10(12)8-20-6-5-9-2-4-13(15(21)19-22)18-14(9)20/h1-7,22H,8H2,(H,19,21).
What are the key properties of 1-[(2-chloro-4-fluorophenyl)methyl]-N-hydroxypyrrolo[2,3-b]pyridine-6-carboxamide?
1-[(2-chloro-4-fluorophenyl)methyl]-N-hydroxypyrrolo[2,3-b]pyridine-6-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-[(2-chloro-4-fluorophenyl)methyl]-N-hydroxypyrrolo[2,3-b]pyridine-6-carboxamide is sourced from PubChem (CID 87266124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).