4-chloro-5-[2-(2,4-difluorophenyl)ethynyl]-1H-pyrrolo[2,3-b]pyridine

C15H7ClF2N2 — CID 156786366

IUPAC4-chloro-5-[2-(2,4-difluorophenyl)ethynyl]-1H-pyrrolo[2,3-b]pyridine
SMILESFc1ccc(C#Cc2cnc3[nH]ccc3c2Cl)c(F)c1
InChIInChI=1S/C15H7ClF2N2/c16-14-10(8-20-15-12(14)5-6-19-15)2-1-9-3-4-11(17)7-13(9)18/h3-8H,(H,19,20)
InChIKeyCSJPZZKPHIVAMN-UHFFFAOYSA-N
MW288.68 g/mol
LogP3.89
Rot. Bonds

About 4-chloro-5-[2-(2,4-difluorophenyl)ethynyl]-1H-pyrrolo[2,3-b]pyridine

4-chloro-5-[2-(2,4-difluorophenyl)ethynyl]-1H-pyrrolo[2,3-b]pyridine (PubChem CID 156786366) has the molecular formula C15H7ClF2N2 and a molecular weight of 288.68 g/mol. Its IUPAC name is 4-chloro-5-[2-(2,4-difluorophenyl)ethynyl]-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name4-chloro-5-[2-(2,4-difluorophenyl)ethynyl]-1H-pyrrolo[2,3-b]pyridine
PubChem CID156786366
Molecular FormulaC15H7ClF2N2
Molecular Weight288.68 g/mol
Exact Mass288.03
IUPAC Name4-chloro-5-[2-(2,4-difluorophenyl)ethynyl]-1H-pyrrolo[2,3-b]pyridine
SMILESFc1ccc(C#Cc2cnc3[nH]ccc3c2Cl)c(F)c1
InChIInChI=1S/C15H7ClF2N2/c16-14-10(8-20-15-12(14)5-6-19-15)2-1-9-3-4-11(17)7-13(9)18/h3-8H,(H,19,20)
InChIKeyCSJPZZKPHIVAMN-UHFFFAOYSA-N
XLogP3.89
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.68
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[2-(2,4-difluorophenyl)ethynyl]-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 4-chloro-5-[2-(2,4-difluorophenyl)ethynyl]-1H-pyrrolo[2,3-b]pyridine (CID 156786366) is 4-chloro-5-[2-(2,4-difluorophenyl)ethynyl]-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 4-chloro-5-[2-(2,4-difluorophenyl)ethynyl]-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 4-chloro-5-[2-(2,4-difluorophenyl)ethynyl]-1H-pyrrolo[2,3-b]pyridine is Fc1ccc(C#Cc2cnc3[nH]ccc3c2Cl)c(F)c1.
What is the InChIKey of 4-chloro-5-[2-(2,4-difluorophenyl)ethynyl]-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is CSJPZZKPHIVAMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7ClF2N2/c16-14-10(8-20-15-12(14)5-6-19-15)2-1-9-3-4-11(17)7-13(9)18/h3-8H,(H,19,20).
What are the key properties of 4-chloro-5-[2-(2,4-difluorophenyl)ethynyl]-1H-pyrrolo[2,3-b]pyridine?
4-chloro-5-[2-(2,4-difluorophenyl)ethynyl]-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 288.68 g/mol, XLogP of 3.89, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[2-(2,4-difluorophenyl)ethynyl]-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 156786366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).