2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-amine

C13H10FN3 — CID 86727993

IUPAC2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-amine
SMILESNc1cnc2[nH]c(-c3ccc(F)cc3)cc2c1
InChIInChI=1S/C13H10FN3/c14-10-3-1-8(2-4-10)12-6-9-5-11(15)7-16-13(9)17-12/h1-7H,15H2,(H,16,17)
InChIKeyCBXCGCVYVCEJNL-UHFFFAOYSA-N
MW227.24 g/mol
LogP2.95
Rot. Bonds1

About 2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-amine

2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-amine (PubChem CID 86727993) has the molecular formula C13H10FN3 and a molecular weight of 227.24 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-amine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-amine
PubChem CID86727993
Molecular FormulaC13H10FN3
Molecular Weight227.24 g/mol
Exact Mass227.09
IUPAC Name2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-amine
SMILESNc1cnc2[nH]c(-c3ccc(F)cc3)cc2c1
InChIInChI=1S/C13H10FN3/c14-10-3-1-8(2-4-10)12-6-9-5-11(15)7-16-13(9)17-12/h1-7H,15H2,(H,16,17)
InChIKeyCBXCGCVYVCEJNL-UHFFFAOYSA-N
XLogP2.95
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.24
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-amine?
The IUPAC name of 2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-amine (CID 86727993) is 2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-amine.
What is the SMILES notation for 2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-amine?
The canonical SMILES for 2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-amine is Nc1cnc2[nH]c(-c3ccc(F)cc3)cc2c1.
What is the InChIKey of 2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-amine?
The InChIKey is CBXCGCVYVCEJNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3/c14-10-3-1-8(2-4-10)12-6-9-5-11(15)7-16-13(9)17-12/h1-7H,15H2,(H,16,17).
What are the key properties of 2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-amine?
2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-amine has a molecular weight of 227.24 g/mol, XLogP of 2.95, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-amine is sourced from PubChem (CID 86727993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).