1-(2,2,2-trifluoroethoxy)pyrrolo[2,3-b]pyridine-2-carboxamide

C10H8F3N3O2 — CID 152717416

IUPAC1-(2,2,2-trifluoroethoxy)pyrrolo[2,3-b]pyridine-2-carboxamide
SMILESNC(=O)c1cc2cccnc2n1OCC(F)(F)F
InChIInChI=1S/C10H8F3N3O2/c11-10(12,13)5-18-16-7(8(14)17)4-6-2-1-3-15-9(6)16/h1-4H,5H2,(H2,14,17)
InChIKeyZUXAWWJKKZWHNZ-UHFFFAOYSA-N
MW259.19 g/mol
LogP1.13
Rot. Bonds3

About 1-(2,2,2-trifluoroethoxy)pyrrolo[2,3-b]pyridine-2-carboxamide

1-(2,2,2-trifluoroethoxy)pyrrolo[2,3-b]pyridine-2-carboxamide (PubChem CID 152717416) has the molecular formula C10H8F3N3O2 and a molecular weight of 259.19 g/mol. Its IUPAC name is 1-(2,2,2-trifluoroethoxy)pyrrolo[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name1-(2,2,2-trifluoroethoxy)pyrrolo[2,3-b]pyridine-2-carboxamide
PubChem CID152717416
Molecular FormulaC10H8F3N3O2
Molecular Weight259.19 g/mol
Exact Mass259.06
IUPAC Name1-(2,2,2-trifluoroethoxy)pyrrolo[2,3-b]pyridine-2-carboxamide
SMILESNC(=O)c1cc2cccnc2n1OCC(F)(F)F
InChIInChI=1S/C10H8F3N3O2/c11-10(12,13)5-18-16-7(8(14)17)4-6-2-1-3-15-9(6)16/h1-4H,5H2,(H2,14,17)
InChIKeyZUXAWWJKKZWHNZ-UHFFFAOYSA-N
XLogP1.13
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.19
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-oxo-1-[[4-(trifluoromethyl)phenyl]methoxy]-1,8-naphthyridine-3-carboxamide
CID 151201417
1-(trifluoromethyl)indole-2-carboxamide
CID 141282028
6-[[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide
CID 177252850
2-(trifluoromethyl)pyridine-3-carboxamide
CID 6425058
2,2-difluoro-2-quinolin-6-ylacetamide
CID 175897040
6-[[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-1,3-benzoxazole-2-carboxamide
CID 177252901
ethyl 2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate
CID 2782648
1-ethoxy-2-pyridin-4-ylpyrrolo[2,3-b]pyridine
CID 141009277
2,2,2-trifluoroethyl N-(2-pyrazol-1-yl-3-pyridinyl)carbamate
CID 47002174
carbamoperoxoic acid;quinolin-8-ol
CID 175492056
8-(2,2,2-trifluoroethoxy)quinoline
CID 70258854
1-[1-(3-fluorophenyl)pyrrolo[2,3-b]pyridin-2-yl]ethanone
CID 58565364

Frequently Asked Questions

What is the IUPAC name of 1-(2,2,2-trifluoroethoxy)pyrrolo[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 1-(2,2,2-trifluoroethoxy)pyrrolo[2,3-b]pyridine-2-carboxamide (CID 152717416) is 1-(2,2,2-trifluoroethoxy)pyrrolo[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 1-(2,2,2-trifluoroethoxy)pyrrolo[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 1-(2,2,2-trifluoroethoxy)pyrrolo[2,3-b]pyridine-2-carboxamide is NC(=O)c1cc2cccnc2n1OCC(F)(F)F.
What is the InChIKey of 1-(2,2,2-trifluoroethoxy)pyrrolo[2,3-b]pyridine-2-carboxamide?
The InChIKey is ZUXAWWJKKZWHNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3O2/c11-10(12,13)5-18-16-7(8(14)17)4-6-2-1-3-15-9(6)16/h1-4H,5H2,(H2,14,17).
What are the key properties of 1-(2,2,2-trifluoroethoxy)pyrrolo[2,3-b]pyridine-2-carboxamide?
1-(2,2,2-trifluoroethoxy)pyrrolo[2,3-b]pyridine-2-carboxamide has a molecular weight of 259.19 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,2-trifluoroethoxy)pyrrolo[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 152717416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).