6-chloro-2-[2-(trifluoromethyl)-3-pyridinyl]pyrrolo[2,3-b]pyridine-1-carboxylic acid

C14H7ClF3N3O2 — CID 135289785

IUPAC6-chloro-2-[2-(trifluoromethyl)-3-pyridinyl]pyrrolo[2,3-b]pyridine-1-carboxylic acid
SMILESO=C(O)n1c(-c2cccnc2C(F)(F)F)cc2ccc(Cl)nc21
InChIInChI=1S/C14H7ClF3N3O2/c15-10-4-3-7-6-9(21(13(22)23)12(7)20-10)8-2-1-5-19-11(8)14(16,17)18/h1-6H,(H,22,23)
InChIKeyJOPHXBVJXCUODG-UHFFFAOYSA-N
MW341.68 g/mol
LogP4.30
Rot. Bonds1

About 6-chloro-2-[2-(trifluoromethyl)-3-pyridinyl]pyrrolo[2,3-b]pyridine-1-carboxylic acid

6-chloro-2-[2-(trifluoromethyl)-3-pyridinyl]pyrrolo[2,3-b]pyridine-1-carboxylic acid (PubChem CID 135289785) has the molecular formula C14H7ClF3N3O2 and a molecular weight of 341.68 g/mol. Its IUPAC name is 6-chloro-2-[2-(trifluoromethyl)-3-pyridinyl]pyrrolo[2,3-b]pyridine-1-carboxylic acid.

Molecular Properties

Compound Name6-chloro-2-[2-(trifluoromethyl)-3-pyridinyl]pyrrolo[2,3-b]pyridine-1-carboxylic acid
PubChem CID135289785
Molecular FormulaC14H7ClF3N3O2
Molecular Weight341.68 g/mol
Exact Mass341.02
IUPAC Name6-chloro-2-[2-(trifluoromethyl)-3-pyridinyl]pyrrolo[2,3-b]pyridine-1-carboxylic acid
SMILESO=C(O)n1c(-c2cccnc2C(F)(F)F)cc2ccc(Cl)nc21
InChIInChI=1S/C14H7ClF3N3O2/c15-10-4-3-7-6-9(21(13(22)23)12(7)20-10)8-2-1-5-19-11(8)14(16,17)18/h1-6H,(H,22,23)
InChIKeyJOPHXBVJXCUODG-UHFFFAOYSA-N
XLogP4.30
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.68
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[2-(trifluoromethyl)-3-pyridinyl]pyrrolo[2,3-b]pyridine-1-carboxylic acid?
The IUPAC name of 6-chloro-2-[2-(trifluoromethyl)-3-pyridinyl]pyrrolo[2,3-b]pyridine-1-carboxylic acid (CID 135289785) is 6-chloro-2-[2-(trifluoromethyl)-3-pyridinyl]pyrrolo[2,3-b]pyridine-1-carboxylic acid.
What is the SMILES notation for 6-chloro-2-[2-(trifluoromethyl)-3-pyridinyl]pyrrolo[2,3-b]pyridine-1-carboxylic acid?
The canonical SMILES for 6-chloro-2-[2-(trifluoromethyl)-3-pyridinyl]pyrrolo[2,3-b]pyridine-1-carboxylic acid is O=C(O)n1c(-c2cccnc2C(F)(F)F)cc2ccc(Cl)nc21.
What is the InChIKey of 6-chloro-2-[2-(trifluoromethyl)-3-pyridinyl]pyrrolo[2,3-b]pyridine-1-carboxylic acid?
The InChIKey is JOPHXBVJXCUODG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7ClF3N3O2/c15-10-4-3-7-6-9(21(13(22)23)12(7)20-10)8-2-1-5-19-11(8)14(16,17)18/h1-6H,(H,22,23).
What are the key properties of 6-chloro-2-[2-(trifluoromethyl)-3-pyridinyl]pyrrolo[2,3-b]pyridine-1-carboxylic acid?
6-chloro-2-[2-(trifluoromethyl)-3-pyridinyl]pyrrolo[2,3-b]pyridine-1-carboxylic acid has a molecular weight of 341.68 g/mol, XLogP of 4.30, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[2-(trifluoromethyl)-3-pyridinyl]pyrrolo[2,3-b]pyridine-1-carboxylic acid is sourced from PubChem (CID 135289785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).