2-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-c]pyridine

C14H9F3N2O — CID 146619016

IUPAC2-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-c]pyridine
SMILESFC(F)(F)Oc1ccc(-c2cc3ccncc3[nH]2)cc1
InChIInChI=1S/C14H9F3N2O/c15-14(16,17)20-11-3-1-9(2-4-11)12-7-10-5-6-18-8-13(10)19-12/h1-8,19H
InChIKeyWQRDFFNYRWLDNG-UHFFFAOYSA-N
MW278.23 g/mol
LogP4.13
Rot. Bonds2

About 2-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-c]pyridine

2-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-c]pyridine (PubChem CID 146619016) has the molecular formula C14H9F3N2O and a molecular weight of 278.23 g/mol. Its IUPAC name is 2-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name2-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-c]pyridine
PubChem CID146619016
Molecular FormulaC14H9F3N2O
Molecular Weight278.23 g/mol
Exact Mass278.07
IUPAC Name2-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-c]pyridine
SMILESFC(F)(F)Oc1ccc(-c2cc3ccncc3[nH]2)cc1
InChIInChI=1S/C14H9F3N2O/c15-14(16,17)20-11-3-1-9(2-4-11)12-7-10-5-6-18-8-13(10)19-12/h1-8,19H
InChIKeyWQRDFFNYRWLDNG-UHFFFAOYSA-N
XLogP4.13
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.23
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-c]pyridine?
The IUPAC name of 2-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-c]pyridine (CID 146619016) is 2-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-c]pyridine.
What is the SMILES notation for 2-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-c]pyridine?
The canonical SMILES for 2-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-c]pyridine is FC(F)(F)Oc1ccc(-c2cc3ccncc3[nH]2)cc1.
What is the InChIKey of 2-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-c]pyridine?
The InChIKey is WQRDFFNYRWLDNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N2O/c15-14(16,17)20-11-3-1-9(2-4-11)12-7-10-5-6-18-8-13(10)19-12/h1-8,19H.
What are the key properties of 2-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-c]pyridine?
2-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-c]pyridine has a molecular weight of 278.23 g/mol, XLogP of 4.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-c]pyridine is sourced from PubChem (CID 146619016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).