2-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine

C18H12FN3 — CID 18432770

IUPAC2-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine
SMILESFc1ccc(-c2[nH]c3ncccc3c2-c2ccncc2)cc1
InChIInChI=1S/C18H12FN3/c19-14-5-3-13(4-6-14)17-16(12-7-10-20-11-8-12)15-2-1-9-21-18(15)22-17/h1-11H,(H,21,22)
InChIKeyKXKFTUKPFILYNH-UHFFFAOYSA-N
MW289.31 g/mol
LogP4.43
Rot. Bonds2

About 2-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine

2-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine (PubChem CID 18432770) has the molecular formula C18H12FN3 and a molecular weight of 289.31 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine
PubChem CID18432770
Molecular FormulaC18H12FN3
Molecular Weight289.31 g/mol
Exact Mass289.10
IUPAC Name2-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine
SMILESFc1ccc(-c2[nH]c3ncccc3c2-c2ccncc2)cc1
InChIInChI=1S/C18H12FN3/c19-14-5-3-13(4-6-14)17-16(12-7-10-20-11-8-12)15-2-1-9-21-18(15)22-17/h1-11H,(H,21,22)
InChIKeyKXKFTUKPFILYNH-UHFFFAOYSA-N
XLogP4.43
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 2-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine (CID 18432770) is 2-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 2-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 2-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine is Fc1ccc(-c2[nH]c3ncccc3c2-c2ccncc2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is KXKFTUKPFILYNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FN3/c19-14-5-3-13(4-6-14)17-16(12-7-10-20-11-8-12)15-2-1-9-21-18(15)22-17/h1-11H,(H,21,22).
What are the key properties of 2-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine?
2-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 289.31 g/mol, XLogP of 4.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 18432770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).