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

C9H6F3N3O — CID 68556730

IUPAC5-(trifluoromethyl)pyrrolo[3,2-b]pyridine-1-carboxamide
SMILESNC(=O)n1ccc2nc(C(F)(F)F)ccc21
InChIInChI=1S/C9H6F3N3O/c10-9(11,12)7-2-1-6-5(14-7)3-4-15(6)8(13)16/h1-4H,(H2,13,16)
InChIKeyNZLWGZOXTYHTKL-UHFFFAOYSA-N
MW229.16 g/mol
LogP1.98
Rot. Bonds

About 5-(trifluoromethyl)pyrrolo[3,2-b]pyridine-1-carboxamide

5-(trifluoromethyl)pyrrolo[3,2-b]pyridine-1-carboxamide (PubChem CID 68556730) has the molecular formula C9H6F3N3O and a molecular weight of 229.16 g/mol. Its IUPAC name is 5-(trifluoromethyl)pyrrolo[3,2-b]pyridine-1-carboxamide.

Molecular Properties

Compound Name5-(trifluoromethyl)pyrrolo[3,2-b]pyridine-1-carboxamide
PubChem CID68556730
Molecular FormulaC9H6F3N3O
Molecular Weight229.16 g/mol
Exact Mass229.05
IUPAC Name5-(trifluoromethyl)pyrrolo[3,2-b]pyridine-1-carboxamide
SMILESNC(=O)n1ccc2nc(C(F)(F)F)ccc21
InChIInChI=1S/C9H6F3N3O/c10-9(11,12)7-2-1-6-5(14-7)3-4-15(6)8(13)16/h1-4H,(H2,13,16)
InChIKeyNZLWGZOXTYHTKL-UHFFFAOYSA-N
XLogP1.98
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.16
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-hydroxy-5-(trifluoromethyl)pyrrolo[3,2-b]pyridine
CID 172748006
[5-(trifluoromethyl)pyrrolo[3,2-b]pyridin-1-yl] 2-methylbutanoate
CID 174559902
pyrrolo[3,2-b]pyridine-1-carboxamide
CID 89303380
2-chloro-6-(trifluoromethyl)pyridine-3-carbonyl chloride
CID 53256666
2-bromo-6-(trifluoromethyl)pyridine-3-carboxamide
CID 50878544
2-[2-amino-6-(trifluoromethyl)-3-pyridinyl]acetic acid
CID 118703990
4-[[6-(trifluoromethyl)-2-pyridinyl]methyl]pyrazole-1-carboxamide
CID 156648583
1-methyl-5-(trifluoromethyl)pyrrolo[3,2-b]pyridine-2-carbaldehyde
CID 105485170
2-amino-6-(trifluoromethyl)pyridine-3-carboxylic acid;nitrous acid
CID 174707233
3-iodo-6-(trifluoromethyl)pyridine-2-carbonyl chloride
CID 130983719
3-[2-pyrrolidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide
CID 154034463
2-(trifluoromethyl)quinoline-6,7-diol
CID 135735543

Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethyl)pyrrolo[3,2-b]pyridine-1-carboxamide?
The IUPAC name of 5-(trifluoromethyl)pyrrolo[3,2-b]pyridine-1-carboxamide (CID 68556730) is 5-(trifluoromethyl)pyrrolo[3,2-b]pyridine-1-carboxamide.
What is the SMILES notation for 5-(trifluoromethyl)pyrrolo[3,2-b]pyridine-1-carboxamide?
The canonical SMILES for 5-(trifluoromethyl)pyrrolo[3,2-b]pyridine-1-carboxamide is NC(=O)n1ccc2nc(C(F)(F)F)ccc21.
What is the InChIKey of 5-(trifluoromethyl)pyrrolo[3,2-b]pyridine-1-carboxamide?
The InChIKey is NZLWGZOXTYHTKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F3N3O/c10-9(11,12)7-2-1-6-5(14-7)3-4-15(6)8(13)16/h1-4H,(H2,13,16).
What are the key properties of 5-(trifluoromethyl)pyrrolo[3,2-b]pyridine-1-carboxamide?
5-(trifluoromethyl)pyrrolo[3,2-b]pyridine-1-carboxamide has a molecular weight of 229.16 g/mol, XLogP of 1.98, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethyl)pyrrolo[3,2-b]pyridine-1-carboxamide is sourced from PubChem (CID 68556730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).