6-chloro-1-methyl-2-[2-(trifluoromethyl)phenyl]pyrrolo[2,3-b]pyridine

C15H10ClF3N2 — CID 135289781

IUPAC6-chloro-1-methyl-2-[2-(trifluoromethyl)phenyl]pyrrolo[2,3-b]pyridine
SMILESCn1c(-c2ccccc2C(F)(F)F)cc2ccc(Cl)nc21
InChIInChI=1S/C15H10ClF3N2/c1-21-12(8-9-6-7-13(16)20-14(9)21)10-4-2-3-5-11(10)15(17,18)19/h2-8H,1H3
InChIKeyQPLYDMJGZCROIY-UHFFFAOYSA-N
MW310.71 g/mol
LogP4.91
Rot. Bonds1

About 6-chloro-1-methyl-2-[2-(trifluoromethyl)phenyl]pyrrolo[2,3-b]pyridine

6-chloro-1-methyl-2-[2-(trifluoromethyl)phenyl]pyrrolo[2,3-b]pyridine (PubChem CID 135289781) has the molecular formula C15H10ClF3N2 and a molecular weight of 310.71 g/mol. Its IUPAC name is 6-chloro-1-methyl-2-[2-(trifluoromethyl)phenyl]pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name6-chloro-1-methyl-2-[2-(trifluoromethyl)phenyl]pyrrolo[2,3-b]pyridine
PubChem CID135289781
Molecular FormulaC15H10ClF3N2
Molecular Weight310.71 g/mol
Exact Mass310.05
IUPAC Name6-chloro-1-methyl-2-[2-(trifluoromethyl)phenyl]pyrrolo[2,3-b]pyridine
SMILESCn1c(-c2ccccc2C(F)(F)F)cc2ccc(Cl)nc21
InChIInChI=1S/C15H10ClF3N2/c1-21-12(8-9-6-7-13(16)20-14(9)21)10-4-2-3-5-11(10)15(17,18)19/h2-8H,1H3
InChIKeyQPLYDMJGZCROIY-UHFFFAOYSA-N
XLogP4.91
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.71
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-1-methyl-2-[2-(trifluoromethyl)phenyl]pyrrolo[2,3-b]pyridine?
The IUPAC name of 6-chloro-1-methyl-2-[2-(trifluoromethyl)phenyl]pyrrolo[2,3-b]pyridine (CID 135289781) is 6-chloro-1-methyl-2-[2-(trifluoromethyl)phenyl]pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 6-chloro-1-methyl-2-[2-(trifluoromethyl)phenyl]pyrrolo[2,3-b]pyridine?
The canonical SMILES for 6-chloro-1-methyl-2-[2-(trifluoromethyl)phenyl]pyrrolo[2,3-b]pyridine is Cn1c(-c2ccccc2C(F)(F)F)cc2ccc(Cl)nc21.
What is the InChIKey of 6-chloro-1-methyl-2-[2-(trifluoromethyl)phenyl]pyrrolo[2,3-b]pyridine?
The InChIKey is QPLYDMJGZCROIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF3N2/c1-21-12(8-9-6-7-13(16)20-14(9)21)10-4-2-3-5-11(10)15(17,18)19/h2-8H,1H3.
What are the key properties of 6-chloro-1-methyl-2-[2-(trifluoromethyl)phenyl]pyrrolo[2,3-b]pyridine?
6-chloro-1-methyl-2-[2-(trifluoromethyl)phenyl]pyrrolo[2,3-b]pyridine has a molecular weight of 310.71 g/mol, XLogP of 4.91, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-methyl-2-[2-(trifluoromethyl)phenyl]pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 135289781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).