5-chloro-1-[(4-fluorophenyl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide

C15H11ClFN3O — CID 118002287

IUPAC5-chloro-1-[(4-fluorophenyl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide
SMILESNC(=O)c1cn(Cc2ccc(F)cc2)c2ccc(Cl)nc12
InChIInChI=1S/C15H11ClFN3O/c16-13-6-5-12-14(19-13)11(15(18)21)8-20(12)7-9-1-3-10(17)4-2-9/h1-6,8H,7H2,(H2,18,21)
InChIKeyUMHRLMXFFYCHMS-UHFFFAOYSA-N
MW303.72 g/mol
LogP2.98
Rot. Bonds3

About 5-chloro-1-[(4-fluorophenyl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide

5-chloro-1-[(4-fluorophenyl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide (PubChem CID 118002287) has the molecular formula C15H11ClFN3O and a molecular weight of 303.72 g/mol. Its IUPAC name is 5-chloro-1-[(4-fluorophenyl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-1-[(4-fluorophenyl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide
PubChem CID118002287
Molecular FormulaC15H11ClFN3O
Molecular Weight303.72 g/mol
Exact Mass303.06
IUPAC Name5-chloro-1-[(4-fluorophenyl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide
SMILESNC(=O)c1cn(Cc2ccc(F)cc2)c2ccc(Cl)nc12
InChIInChI=1S/C15H11ClFN3O/c16-13-6-5-12-14(19-13)11(15(18)21)8-20(12)7-9-1-3-10(17)4-2-9/h1-6,8H,7H2,(H2,18,21)
InChIKeyUMHRLMXFFYCHMS-UHFFFAOYSA-N
XLogP2.98
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.72
LogP ≤ 52.98
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 5-chloro-1-[(4-fluorophenyl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide?
The IUPAC name of 5-chloro-1-[(4-fluorophenyl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide (CID 118002287) is 5-chloro-1-[(4-fluorophenyl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-1-[(4-fluorophenyl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-1-[(4-fluorophenyl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide is NC(=O)c1cn(Cc2ccc(F)cc2)c2ccc(Cl)nc12.
What is the InChIKey of 5-chloro-1-[(4-fluorophenyl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide?
The InChIKey is UMHRLMXFFYCHMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFN3O/c16-13-6-5-12-14(19-13)11(15(18)21)8-20(12)7-9-1-3-10(17)4-2-9/h1-6,8H,7H2,(H2,18,21).
What are the key properties of 5-chloro-1-[(4-fluorophenyl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide?
5-chloro-1-[(4-fluorophenyl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide has a molecular weight of 303.72 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[(4-fluorophenyl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide is sourced from PubChem (CID 118002287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).