6-phenyl-4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid

C15H9F3N2O2 — CID 66520759

IUPAC6-phenyl-4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid
SMILESO=C(O)c1cc2c(C(F)(F)F)cc(-c3ccccc3)nc2[nH]1
InChIInChI=1S/C15H9F3N2O2/c16-15(17,18)10-7-11(8-4-2-1-3-5-8)19-13-9(10)6-12(20-13)14(21)22/h1-7H,(H,19,20)(H,21,22)
InChIKeyVKCXXJOVHRMYKF-UHFFFAOYSA-N
MW306.24 g/mol
LogP3.95
Rot. Bonds2

About 6-phenyl-4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid

6-phenyl-4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid (PubChem CID 66520759) has the molecular formula C15H9F3N2O2 and a molecular weight of 306.24 g/mol. Its IUPAC name is 6-phenyl-4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-phenyl-4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid
PubChem CID66520759
Molecular FormulaC15H9F3N2O2
Molecular Weight306.24 g/mol
Exact Mass306.06
IUPAC Name6-phenyl-4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid
SMILESO=C(O)c1cc2c(C(F)(F)F)cc(-c3ccccc3)nc2[nH]1
InChIInChI=1S/C15H9F3N2O2/c16-15(17,18)10-7-11(8-4-2-1-3-5-8)19-13-9(10)6-12(20-13)14(21)22/h1-7H,(H,19,20)(H,21,22)
InChIKeyVKCXXJOVHRMYKF-UHFFFAOYSA-N
XLogP3.95
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.24
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-phenyl-4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid?
The IUPAC name of 6-phenyl-4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid (CID 66520759) is 6-phenyl-4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-phenyl-4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid?
The canonical SMILES for 6-phenyl-4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid is O=C(O)c1cc2c(C(F)(F)F)cc(-c3ccccc3)nc2[nH]1.
What is the InChIKey of 6-phenyl-4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid?
The InChIKey is VKCXXJOVHRMYKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F3N2O2/c16-15(17,18)10-7-11(8-4-2-1-3-5-8)19-13-9(10)6-12(20-13)14(21)22/h1-7H,(H,19,20)(H,21,22).
What are the key properties of 6-phenyl-4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid?
6-phenyl-4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid has a molecular weight of 306.24 g/mol, XLogP of 3.95, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid is sourced from PubChem (CID 66520759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).