6-chloro-1-(2-fluorophenyl)pyrrolo[2,3-b]pyridine-2-carboxamide

C14H9ClFN3O — CID 141423105

IUPAC6-chloro-1-(2-fluorophenyl)pyrrolo[2,3-b]pyridine-2-carboxamide
SMILESNC(=O)c1cc2ccc(Cl)nc2n1-c1ccccc1F
InChIInChI=1S/C14H9ClFN3O/c15-12-6-5-8-7-11(13(17)20)19(14(8)18-12)10-4-2-1-3-9(10)16/h1-7H,(H2,17,20)
InChIKeyUZSWLEGEDFCJOV-UHFFFAOYSA-N
MW289.70 g/mol
LogP2.92
Rot. Bonds2

About 6-chloro-1-(2-fluorophenyl)pyrrolo[2,3-b]pyridine-2-carboxamide

6-chloro-1-(2-fluorophenyl)pyrrolo[2,3-b]pyridine-2-carboxamide (PubChem CID 141423105) has the molecular formula C14H9ClFN3O and a molecular weight of 289.70 g/mol. Its IUPAC name is 6-chloro-1-(2-fluorophenyl)pyrrolo[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-1-(2-fluorophenyl)pyrrolo[2,3-b]pyridine-2-carboxamide
PubChem CID141423105
Molecular FormulaC14H9ClFN3O
Molecular Weight289.70 g/mol
Exact Mass289.04
IUPAC Name6-chloro-1-(2-fluorophenyl)pyrrolo[2,3-b]pyridine-2-carboxamide
SMILESNC(=O)c1cc2ccc(Cl)nc2n1-c1ccccc1F
InChIInChI=1S/C14H9ClFN3O/c15-12-6-5-8-7-11(13(17)20)19(14(8)18-12)10-4-2-1-3-9(10)16/h1-7H,(H2,17,20)
InChIKeyUZSWLEGEDFCJOV-UHFFFAOYSA-N
XLogP2.92
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.70
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-(2-fluorophenyl)pyrrolo[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 6-chloro-1-(2-fluorophenyl)pyrrolo[2,3-b]pyridine-2-carboxamide (CID 141423105) is 6-chloro-1-(2-fluorophenyl)pyrrolo[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 6-chloro-1-(2-fluorophenyl)pyrrolo[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 6-chloro-1-(2-fluorophenyl)pyrrolo[2,3-b]pyridine-2-carboxamide is NC(=O)c1cc2ccc(Cl)nc2n1-c1ccccc1F.
What is the InChIKey of 6-chloro-1-(2-fluorophenyl)pyrrolo[2,3-b]pyridine-2-carboxamide?
The InChIKey is UZSWLEGEDFCJOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClFN3O/c15-12-6-5-8-7-11(13(17)20)19(14(8)18-12)10-4-2-1-3-9(10)16/h1-7H,(H2,17,20).
What are the key properties of 6-chloro-1-(2-fluorophenyl)pyrrolo[2,3-b]pyridine-2-carboxamide?
6-chloro-1-(2-fluorophenyl)pyrrolo[2,3-b]pyridine-2-carboxamide has a molecular weight of 289.70 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-(2-fluorophenyl)pyrrolo[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 141423105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).