1-[2-fluoro-4-(5-pyridin-2-yltetrazol-2-yl)phenyl]pyrrolo[2,3-b]pyridine

C19H12FN7 — CID 10172350

IUPAC1-[2-fluoro-4-(5-pyridin-2-yltetrazol-2-yl)phenyl]pyrrolo[2,3-b]pyridine
SMILESFc1cc(-n2nnc(-c3ccccn3)n2)ccc1-n1ccc2cccnc21
InChIInChI=1S/C19H12FN7/c20-15-12-14(27-24-18(23-25-27)16-5-1-2-9-21-16)6-7-17(15)26-11-8-13-4-3-10-22-19(13)26/h1-12H
InChIKeyQIRMGELFNCLWEM-UHFFFAOYSA-N
MW357.35 g/mol
LogP3.20
Rot. Bonds3

About 1-[2-fluoro-4-(5-pyridin-2-yltetrazol-2-yl)phenyl]pyrrolo[2,3-b]pyridine

1-[2-fluoro-4-(5-pyridin-2-yltetrazol-2-yl)phenyl]pyrrolo[2,3-b]pyridine (PubChem CID 10172350) has the molecular formula C19H12FN7 and a molecular weight of 357.35 g/mol. Its IUPAC name is 1-[2-fluoro-4-(5-pyridin-2-yltetrazol-2-yl)phenyl]pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name1-[2-fluoro-4-(5-pyridin-2-yltetrazol-2-yl)phenyl]pyrrolo[2,3-b]pyridine
PubChem CID10172350
Molecular FormulaC19H12FN7
Molecular Weight357.35 g/mol
Exact Mass357.11
IUPAC Name1-[2-fluoro-4-(5-pyridin-2-yltetrazol-2-yl)phenyl]pyrrolo[2,3-b]pyridine
SMILESFc1cc(-n2nnc(-c3ccccn3)n2)ccc1-n1ccc2cccnc21
InChIInChI=1S/C19H12FN7/c20-15-12-14(27-24-18(23-25-27)16-5-1-2-9-21-16)6-7-17(15)26-11-8-13-4-3-10-22-19(13)26/h1-12H
InChIKeyQIRMGELFNCLWEM-UHFFFAOYSA-N
XLogP3.20
TPSA74.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.35
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-4-(5-pyridin-2-yltetrazol-2-yl)phenyl]pyrrolo[2,3-b]pyridine?
The IUPAC name of 1-[2-fluoro-4-(5-pyridin-2-yltetrazol-2-yl)phenyl]pyrrolo[2,3-b]pyridine (CID 10172350) is 1-[2-fluoro-4-(5-pyridin-2-yltetrazol-2-yl)phenyl]pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 1-[2-fluoro-4-(5-pyridin-2-yltetrazol-2-yl)phenyl]pyrrolo[2,3-b]pyridine?
The canonical SMILES for 1-[2-fluoro-4-(5-pyridin-2-yltetrazol-2-yl)phenyl]pyrrolo[2,3-b]pyridine is Fc1cc(-n2nnc(-c3ccccn3)n2)ccc1-n1ccc2cccnc21.
What is the InChIKey of 1-[2-fluoro-4-(5-pyridin-2-yltetrazol-2-yl)phenyl]pyrrolo[2,3-b]pyridine?
The InChIKey is QIRMGELFNCLWEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12FN7/c20-15-12-14(27-24-18(23-25-27)16-5-1-2-9-21-16)6-7-17(15)26-11-8-13-4-3-10-22-19(13)26/h1-12H.
What are the key properties of 1-[2-fluoro-4-(5-pyridin-2-yltetrazol-2-yl)phenyl]pyrrolo[2,3-b]pyridine?
1-[2-fluoro-4-(5-pyridin-2-yltetrazol-2-yl)phenyl]pyrrolo[2,3-b]pyridine has a molecular weight of 357.35 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-4-(5-pyridin-2-yltetrazol-2-yl)phenyl]pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 10172350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).