3-fluoro-6-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-(trifluoromethyl)pyridin-2-amine

C13H7F5N4 — CID 67988162

IUPAC3-fluoro-6-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-(trifluoromethyl)pyridin-2-amine
SMILESNc1nc(-c2c[nH]c3ncc(F)cc23)c(C(F)(F)F)cc1F
InChIInChI=1S/C13H7F5N4/c14-5-1-6-7(4-21-12(6)20-3-5)10-8(13(16,17)18)2-9(15)11(19)22-10/h1-4H,(H2,19,22)(H,20,21)
InChIKeyRPQKGZFYVRXNIN-UHFFFAOYSA-N
MW314.22 g/mol
LogP3.50
Rot. Bonds1

About 3-fluoro-6-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-(trifluoromethyl)pyridin-2-amine

3-fluoro-6-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 67988162) has the molecular formula C13H7F5N4 and a molecular weight of 314.22 g/mol. Its IUPAC name is 3-fluoro-6-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-fluoro-6-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-(trifluoromethyl)pyridin-2-amine
PubChem CID67988162
Molecular FormulaC13H7F5N4
Molecular Weight314.22 g/mol
Exact Mass314.06
IUPAC Name3-fluoro-6-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-(trifluoromethyl)pyridin-2-amine
SMILESNc1nc(-c2c[nH]c3ncc(F)cc23)c(C(F)(F)F)cc1F
InChIInChI=1S/C13H7F5N4/c14-5-1-6-7(4-21-12(6)20-3-5)10-8(13(16,17)18)2-9(15)11(19)22-10/h1-4H,(H2,19,22)(H,20,21)
InChIKeyRPQKGZFYVRXNIN-UHFFFAOYSA-N
XLogP3.50
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.22
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-6-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 3-fluoro-6-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-(trifluoromethyl)pyridin-2-amine (CID 67988162) is 3-fluoro-6-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 3-fluoro-6-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 3-fluoro-6-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-(trifluoromethyl)pyridin-2-amine is Nc1nc(-c2c[nH]c3ncc(F)cc23)c(C(F)(F)F)cc1F.
What is the InChIKey of 3-fluoro-6-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is RPQKGZFYVRXNIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F5N4/c14-5-1-6-7(4-21-12(6)20-3-5)10-8(13(16,17)18)2-9(15)11(19)22-10/h1-4H,(H2,19,22)(H,20,21).
What are the key properties of 3-fluoro-6-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-(trifluoromethyl)pyridin-2-amine?
3-fluoro-6-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 314.22 g/mol, XLogP of 3.50, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-6-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 67988162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).