1-(2-fluorophenyl)ethyl 1H-pyrrolo[2,3-b]pyridine-4-carboxylate

C16H13FN2O2 — CID 167976274

IUPAC1-(2-fluorophenyl)ethyl 1H-pyrrolo[2,3-b]pyridine-4-carboxylate
SMILESCC(OC(=O)c1ccnc2[nH]ccc12)c1ccccc1F
InChIInChI=1S/C16H13FN2O2/c1-10(11-4-2-3-5-14(11)17)21-16(20)13-7-9-19-15-12(13)6-8-18-15/h2-10H,1H3,(H,18,19)
InChIKeyHRDVLZMWVDDQJR-UHFFFAOYSA-N
MW284.29 g/mol
LogP3.62
Rot. Bonds3

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

1-(2-fluorophenyl)ethyl 1H-pyrrolo[2,3-b]pyridine-4-carboxylate (PubChem CID 167976274) has the molecular formula C16H13FN2O2 and a molecular weight of 284.29 g/mol. Its IUPAC name is 1-(2-fluorophenyl)ethyl 1H-pyrrolo[2,3-b]pyridine-4-carboxylate.

Molecular Properties

Compound Name1-(2-fluorophenyl)ethyl 1H-pyrrolo[2,3-b]pyridine-4-carboxylate
PubChem CID167976274
Molecular FormulaC16H13FN2O2
Molecular Weight284.29 g/mol
Exact Mass284.10
IUPAC Name1-(2-fluorophenyl)ethyl 1H-pyrrolo[2,3-b]pyridine-4-carboxylate
SMILESCC(OC(=O)c1ccnc2[nH]ccc12)c1ccccc1F
InChIInChI=1S/C16H13FN2O2/c1-10(11-4-2-3-5-14(11)17)21-16(20)13-7-9-19-15-12(13)6-8-18-15/h2-10H,1H3,(H,18,19)
InChIKeyHRDVLZMWVDDQJR-UHFFFAOYSA-N
XLogP3.62
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)ethyl 1H-pyrrolo[2,3-b]pyridine-4-carboxylate?
The IUPAC name of 1-(2-fluorophenyl)ethyl 1H-pyrrolo[2,3-b]pyridine-4-carboxylate (CID 167976274) is 1-(2-fluorophenyl)ethyl 1H-pyrrolo[2,3-b]pyridine-4-carboxylate.
What is the SMILES notation for 1-(2-fluorophenyl)ethyl 1H-pyrrolo[2,3-b]pyridine-4-carboxylate?
The canonical SMILES for 1-(2-fluorophenyl)ethyl 1H-pyrrolo[2,3-b]pyridine-4-carboxylate is CC(OC(=O)c1ccnc2[nH]ccc12)c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)ethyl 1H-pyrrolo[2,3-b]pyridine-4-carboxylate?
The InChIKey is HRDVLZMWVDDQJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O2/c1-10(11-4-2-3-5-14(11)17)21-16(20)13-7-9-19-15-12(13)6-8-18-15/h2-10H,1H3,(H,18,19).
What are the key properties of 1-(2-fluorophenyl)ethyl 1H-pyrrolo[2,3-b]pyridine-4-carboxylate?
1-(2-fluorophenyl)ethyl 1H-pyrrolo[2,3-b]pyridine-4-carboxylate has a molecular weight of 284.29 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)ethyl 1H-pyrrolo[2,3-b]pyridine-4-carboxylate is sourced from PubChem (CID 167976274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).