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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Related Compounds

4-chloro-5-[2-(4-fluorophenyl)ethynyl]-1H-pyrrolo[2,3-b]pyridine
CID 156786408
4-chloro-5-(2-pyrimidin-2-ylethynyl)-1H-pyrrolo[2,3-b]pyridine
CID 156786304
4-chloro-5-[2-(4-methoxyphenyl)ethynyl]-1H-pyrrolo[2,3-b]pyridine
CID 156786375
5-ethynyl-4-fluoro-1H-pyrrolo[2,3-b]pyridine
CID 74891552
4-chloro-5-[3-(4-methylphenoxy)prop-1-ynyl]-1H-pyrrolo[2,3-b]pyridine
CID 156786360
N-cyclohexyl-5-[2-(2-fluorophenyl)ethynyl]-1H-pyrrolo[2,3-b]pyridin-4-amine
CID 156786306
1-(4-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)-N-(2,6-difluoro-3,5-dimethoxyphenyl)methanimine
CID 86705631
4-chloro-5-(3-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine
CID 156781518
6-chloro-1H-1,8-naphthyridin-4-one
CID 53485717
6-[2-(2,4-difluorophenyl)ethynyl]-[1,3]thiazolo[4,5-b]pyridine
CID 50913896
4-chloro-5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine
CID 156781483
4-chloro-5-(oxetan-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridine
CID 162760969

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).