[4-(2,2,2-trifluoroethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanamine

C10H10F3N3O — CID 84704975

IUPAC[4-(2,2,2-trifluoroethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanamine
SMILESNCc1c[nH]c2nccc(OCC(F)(F)F)c12
InChIInChI=1S/C10H10F3N3O/c11-10(12,13)5-17-7-1-2-15-9-8(7)6(3-14)4-16-9/h1-2,4H,3,5,14H2,(H,15,16)
InChIKeySTVSVUYHQQXXQZ-UHFFFAOYSA-N
MW245.20 g/mol
LogP1.96
Rot. Bonds3

About [4-(2,2,2-trifluoroethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanamine

[4-(2,2,2-trifluoroethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanamine (PubChem CID 84704975) has the molecular formula C10H10F3N3O and a molecular weight of 245.20 g/mol. Its IUPAC name is [4-(2,2,2-trifluoroethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanamine.

Molecular Properties

Compound Name[4-(2,2,2-trifluoroethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanamine
PubChem CID84704975
Molecular FormulaC10H10F3N3O
Molecular Weight245.20 g/mol
Exact Mass245.08
IUPAC Name[4-(2,2,2-trifluoroethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanamine
SMILESNCc1c[nH]c2nccc(OCC(F)(F)F)c12
InChIInChI=1S/C10H10F3N3O/c11-10(12,13)5-17-7-1-2-15-9-8(7)6(3-14)4-16-9/h1-2,4H,3,5,14H2,(H,15,16)
InChIKeySTVSVUYHQQXXQZ-UHFFFAOYSA-N
XLogP1.96
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.20
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(2,2,2-trifluoroethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanamine?
The IUPAC name of [4-(2,2,2-trifluoroethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanamine (CID 84704975) is [4-(2,2,2-trifluoroethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanamine.
What is the SMILES notation for [4-(2,2,2-trifluoroethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanamine?
The canonical SMILES for [4-(2,2,2-trifluoroethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanamine is NCc1c[nH]c2nccc(OCC(F)(F)F)c12.
What is the InChIKey of [4-(2,2,2-trifluoroethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanamine?
The InChIKey is STVSVUYHQQXXQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N3O/c11-10(12,13)5-17-7-1-2-15-9-8(7)6(3-14)4-16-9/h1-2,4H,3,5,14H2,(H,15,16).
What are the key properties of [4-(2,2,2-trifluoroethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanamine?
[4-(2,2,2-trifluoroethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanamine has a molecular weight of 245.20 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,2,2-trifluoroethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanamine is sourced from PubChem (CID 84704975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).