6-[5-fluoro-2-(trifluoromethyl)phenyl]pyrrolo[2,3-b]pyridine-1-carboxylic acid

C15H8F4N2O2 — CID 150259527

IUPAC6-[5-fluoro-2-(trifluoromethyl)phenyl]pyrrolo[2,3-b]pyridine-1-carboxylic acid
SMILESO=C(O)n1ccc2ccc(-c3cc(F)ccc3C(F)(F)F)nc21
InChIInChI=1S/C15H8F4N2O2/c16-9-2-3-11(15(17,18)19)10(7-9)12-4-1-8-5-6-21(14(22)23)13(8)20-12/h1-7H,(H,22,23)
InChIKeyGBGFUZDYUPVJCL-UHFFFAOYSA-N
MW324.23 g/mol
LogP4.39
Rot. Bonds1

About 6-[5-fluoro-2-(trifluoromethyl)phenyl]pyrrolo[2,3-b]pyridine-1-carboxylic acid

6-[5-fluoro-2-(trifluoromethyl)phenyl]pyrrolo[2,3-b]pyridine-1-carboxylic acid (PubChem CID 150259527) has the molecular formula C15H8F4N2O2 and a molecular weight of 324.23 g/mol. Its IUPAC name is 6-[5-fluoro-2-(trifluoromethyl)phenyl]pyrrolo[2,3-b]pyridine-1-carboxylic acid.

Molecular Properties

Compound Name6-[5-fluoro-2-(trifluoromethyl)phenyl]pyrrolo[2,3-b]pyridine-1-carboxylic acid
PubChem CID150259527
Molecular FormulaC15H8F4N2O2
Molecular Weight324.23 g/mol
Exact Mass324.05
IUPAC Name6-[5-fluoro-2-(trifluoromethyl)phenyl]pyrrolo[2,3-b]pyridine-1-carboxylic acid
SMILESO=C(O)n1ccc2ccc(-c3cc(F)ccc3C(F)(F)F)nc21
InChIInChI=1S/C15H8F4N2O2/c16-9-2-3-11(15(17,18)19)10(7-9)12-4-1-8-5-6-21(14(22)23)13(8)20-12/h1-7H,(H,22,23)
InChIKeyGBGFUZDYUPVJCL-UHFFFAOYSA-N
XLogP4.39
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.23
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[4-(Piperidin-1-ylmethyl)phenyl]pyrrolo[2,3-b]pyridine-1-carboxamide
CID 73669300
2-(tert-butyl)-1-(3-fluorobenzyl)-1H-pyrrolo[2,3-b]pyridine
CID 1488065
6-[4-(Dimethylamino)phenyl]pyrrolo[2,3-b]pyridine-1-carboxamide
CID 76310216
6-(4-Fluorophenyl)pyrrolo[2,3-b]pyridine-1-carboxamide
CID 76313907
6-Phenylpyrrolo[2,3-b]pyridine-1-carboxamide
CID 76317440
6-[4-(Pyrrolidin-1-ylmethyl)phenyl]pyrrolo[2,3-b]pyridine-1-carboxamide
CID 76335635
6-[9-(3-fluorobenzyl)-5,6,8,9-tetrahydro-7H-pyrido[4',3':4,5]pyrrolo[2,3-b]pyridin-7-yl]-6-oxohexanoic acid
CID 89523722
6-[4-[(Dimethylamino)methyl]phenyl]pyrrolo[2,3-b]pyridine-1-carboxamide
CID 76321173
6-(2-Fluorophenyl)pyrrolo[2,3-b]pyridine-1-carboxamide
CID 76332028
4-[4-(2,3-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-methyl-3,6-dihydro-2H-pyridine-1-carboxamide
CID 90413195
US9796708, Example 789
CID 118897364
1-(2,6-Difluorophenyl)-1-[4-(2-fluorophenyl)-7-methylpyrrolo[2,3-d]pyrimidin-2-yl]urea
CID 49831036

Frequently Asked Questions

What is the IUPAC name of 6-[5-fluoro-2-(trifluoromethyl)phenyl]pyrrolo[2,3-b]pyridine-1-carboxylic acid?
The IUPAC name of 6-[5-fluoro-2-(trifluoromethyl)phenyl]pyrrolo[2,3-b]pyridine-1-carboxylic acid (CID 150259527) is 6-[5-fluoro-2-(trifluoromethyl)phenyl]pyrrolo[2,3-b]pyridine-1-carboxylic acid.
What is the SMILES notation for 6-[5-fluoro-2-(trifluoromethyl)phenyl]pyrrolo[2,3-b]pyridine-1-carboxylic acid?
The canonical SMILES for 6-[5-fluoro-2-(trifluoromethyl)phenyl]pyrrolo[2,3-b]pyridine-1-carboxylic acid is O=C(O)n1ccc2ccc(-c3cc(F)ccc3C(F)(F)F)nc21.
What is the InChIKey of 6-[5-fluoro-2-(trifluoromethyl)phenyl]pyrrolo[2,3-b]pyridine-1-carboxylic acid?
The InChIKey is GBGFUZDYUPVJCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F4N2O2/c16-9-2-3-11(15(17,18)19)10(7-9)12-4-1-8-5-6-21(14(22)23)13(8)20-12/h1-7H,(H,22,23).
What are the key properties of 6-[5-fluoro-2-(trifluoromethyl)phenyl]pyrrolo[2,3-b]pyridine-1-carboxylic acid?
6-[5-fluoro-2-(trifluoromethyl)phenyl]pyrrolo[2,3-b]pyridine-1-carboxylic acid has a molecular weight of 324.23 g/mol, XLogP of 4.39, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-fluoro-2-(trifluoromethyl)phenyl]pyrrolo[2,3-b]pyridine-1-carboxylic acid is sourced from PubChem (CID 150259527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).