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

C18H11F2N3 — CID 59699705

IUPAC3-(2,3-difluorophenyl)-5-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine
SMILESFc1cccc(-c2c[nH]c3ncc(-c4ccncc4)cc23)c1F
InChIInChI=1S/C18H11F2N3/c19-16-3-1-2-13(17(16)20)15-10-23-18-14(15)8-12(9-22-18)11-4-6-21-7-5-11/h1-10H,(H,22,23)
InChIKeyVEOUNFWEPXSYLO-UHFFFAOYSA-N
MW307.30 g/mol
LogP4.57
Rot. Bonds2

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

3-(2,3-difluorophenyl)-5-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine (PubChem CID 59699705) has the molecular formula C18H11F2N3 and a molecular weight of 307.30 g/mol. Its IUPAC name is 3-(2,3-difluorophenyl)-5-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-(2,3-difluorophenyl)-5-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine
PubChem CID59699705
Molecular FormulaC18H11F2N3
Molecular Weight307.30 g/mol
Exact Mass307.09
IUPAC Name3-(2,3-difluorophenyl)-5-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine
SMILESFc1cccc(-c2c[nH]c3ncc(-c4ccncc4)cc23)c1F
InChIInChI=1S/C18H11F2N3/c19-16-3-1-2-13(17(16)20)15-10-23-18-14(15)8-12(9-22-18)11-4-6-21-7-5-11/h1-10H,(H,22,23)
InChIKeyVEOUNFWEPXSYLO-UHFFFAOYSA-N
XLogP4.57
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.30
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-difluorophenyl)-5-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-(2,3-difluorophenyl)-5-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine (CID 59699705) is 3-(2,3-difluorophenyl)-5-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-(2,3-difluorophenyl)-5-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-(2,3-difluorophenyl)-5-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine is Fc1cccc(-c2c[nH]c3ncc(-c4ccncc4)cc23)c1F.
What is the InChIKey of 3-(2,3-difluorophenyl)-5-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is VEOUNFWEPXSYLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F2N3/c19-16-3-1-2-13(17(16)20)15-10-23-18-14(15)8-12(9-22-18)11-4-6-21-7-5-11/h1-10H,(H,22,23).
What are the key properties of 3-(2,3-difluorophenyl)-5-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine?
3-(2,3-difluorophenyl)-5-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 307.30 g/mol, XLogP of 4.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-difluorophenyl)-5-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 59699705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).