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

C15H8ClFN2 — CID 156786408

IUPAC4-chloro-5-[2-(4-fluorophenyl)ethynyl]-1H-pyrrolo[2,3-b]pyridine
SMILESFc1ccc(C#Cc2cnc3[nH]ccc3c2Cl)cc1
InChIInChI=1S/C15H8ClFN2/c16-14-11(9-19-15-13(14)7-8-18-15)4-1-10-2-5-12(17)6-3-10/h2-3,5-9H,(H,18,19)
InChIKeyMUKSCQGRVBDMAW-UHFFFAOYSA-N
MW270.69 g/mol
LogP3.76
Rot. Bonds

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

4-chloro-5-[2-(4-fluorophenyl)ethynyl]-1H-pyrrolo[2,3-b]pyridine (PubChem CID 156786408) has the molecular formula C15H8ClFN2 and a molecular weight of 270.69 g/mol. Its IUPAC name is 4-chloro-5-[2-(4-fluorophenyl)ethynyl]-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name4-chloro-5-[2-(4-fluorophenyl)ethynyl]-1H-pyrrolo[2,3-b]pyridine
PubChem CID156786408
Molecular FormulaC15H8ClFN2
Molecular Weight270.69 g/mol
Exact Mass270.04
IUPAC Name4-chloro-5-[2-(4-fluorophenyl)ethynyl]-1H-pyrrolo[2,3-b]pyridine
SMILESFc1ccc(C#Cc2cnc3[nH]ccc3c2Cl)cc1
InChIInChI=1S/C15H8ClFN2/c16-14-11(9-19-15-13(14)7-8-18-15)4-1-10-2-5-12(17)6-3-10/h2-3,5-9H,(H,18,19)
InChIKeyMUKSCQGRVBDMAW-UHFFFAOYSA-N
XLogP3.76
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.69
LogP ≤ 53.76
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-(2,4-difluorophenyl)ethynyl]-1H-pyrrolo[2,3-b]pyridine
CID 156786366
4-chloro-5-[2-(4-methoxyphenyl)ethynyl]-1H-pyrrolo[2,3-b]pyridine
CID 156786375
4-chloro-5-(2-pyrimidin-2-ylethynyl)-1H-pyrrolo[2,3-b]pyridine
CID 156786304
4-chloro-5-[3-(4-methylphenoxy)prop-1-ynyl]-1H-pyrrolo[2,3-b]pyridine
CID 156786360
5-ethynyl-4-fluoro-1H-pyrrolo[2,3-b]pyridine
CID 74891552
3-[2-(4-fluorophenyl)ethynyl]-7H-pyrrolo[2,3-d]pyrimidin-4-one
CID 19005002
1,4-bis[2-(4-fluorophenyl)ethynyl]benzene
CID 4677208
5-chloro-2-[2-(4-fluorophenyl)ethynyl]pyrimidine
CID 18987674
1-(2-chloroethynyl)-4-fluorobenzene
CID 13173798
N-cyclohexyl-5-[2-(2-fluorophenyl)ethynyl]-1H-pyrrolo[2,3-b]pyridin-4-amine
CID 156786306
2-[2-(4-fluorophenyl)ethynyl]-1H-pyrrole
CID 141474092
2-chloro-4-(4-fluorophenyl)-7H-pyrrolo[2,3-d]pyrimidine
CID 59443149

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[2-(4-fluorophenyl)ethynyl]-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 4-chloro-5-[2-(4-fluorophenyl)ethynyl]-1H-pyrrolo[2,3-b]pyridine (CID 156786408) is 4-chloro-5-[2-(4-fluorophenyl)ethynyl]-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 4-chloro-5-[2-(4-fluorophenyl)ethynyl]-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 4-chloro-5-[2-(4-fluorophenyl)ethynyl]-1H-pyrrolo[2,3-b]pyridine is Fc1ccc(C#Cc2cnc3[nH]ccc3c2Cl)cc1.
What is the InChIKey of 4-chloro-5-[2-(4-fluorophenyl)ethynyl]-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is MUKSCQGRVBDMAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8ClFN2/c16-14-11(9-19-15-13(14)7-8-18-15)4-1-10-2-5-12(17)6-3-10/h2-3,5-9H,(H,18,19).
What are the key properties of 4-chloro-5-[2-(4-fluorophenyl)ethynyl]-1H-pyrrolo[2,3-b]pyridine?
4-chloro-5-[2-(4-fluorophenyl)ethynyl]-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 270.69 g/mol, XLogP of 3.76, 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-(4-fluorophenyl)ethynyl]-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 156786408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).