2-(1H-pyrrolo[2,3-c]pyridin-7-yl)-5-(trifluoromethyl)phenol

C14H9F3N2O — CID 171697761

IUPAC2-(1H-pyrrolo[2,3-c]pyridin-7-yl)-5-(trifluoromethyl)phenol
SMILESOc1cc(C(F)(F)F)ccc1-c1nccc2cc[nH]c12
InChIInChI=1S/C14H9F3N2O/c15-14(16,17)9-1-2-10(11(20)7-9)13-12-8(3-5-18-12)4-6-19-13/h1-7,18,20H
InChIKeyHGJHNPDVNSEBDR-UHFFFAOYSA-N
MW278.23 g/mol
LogP3.95
Rot. Bonds1

About 2-(1H-pyrrolo[2,3-c]pyridin-7-yl)-5-(trifluoromethyl)phenol

2-(1H-pyrrolo[2,3-c]pyridin-7-yl)-5-(trifluoromethyl)phenol (PubChem CID 171697761) has the molecular formula C14H9F3N2O and a molecular weight of 278.23 g/mol. Its IUPAC name is 2-(1H-pyrrolo[2,3-c]pyridin-7-yl)-5-(trifluoromethyl)phenol.

Molecular Properties

Compound Name2-(1H-pyrrolo[2,3-c]pyridin-7-yl)-5-(trifluoromethyl)phenol
PubChem CID171697761
Molecular FormulaC14H9F3N2O
Molecular Weight278.23 g/mol
Exact Mass278.07
IUPAC Name2-(1H-pyrrolo[2,3-c]pyridin-7-yl)-5-(trifluoromethyl)phenol
SMILESOc1cc(C(F)(F)F)ccc1-c1nccc2cc[nH]c12
InChIInChI=1S/C14H9F3N2O/c15-14(16,17)9-1-2-10(11(20)7-9)13-12-8(3-5-18-12)4-6-19-13/h1-7,18,20H
InChIKeyHGJHNPDVNSEBDR-UHFFFAOYSA-N
XLogP3.95
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.23
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-pyrrolo[2,3-c]pyridin-7-yl)-5-(trifluoromethyl)phenol?
The IUPAC name of 2-(1H-pyrrolo[2,3-c]pyridin-7-yl)-5-(trifluoromethyl)phenol (CID 171697761) is 2-(1H-pyrrolo[2,3-c]pyridin-7-yl)-5-(trifluoromethyl)phenol.
What is the SMILES notation for 2-(1H-pyrrolo[2,3-c]pyridin-7-yl)-5-(trifluoromethyl)phenol?
The canonical SMILES for 2-(1H-pyrrolo[2,3-c]pyridin-7-yl)-5-(trifluoromethyl)phenol is Oc1cc(C(F)(F)F)ccc1-c1nccc2cc[nH]c12.
What is the InChIKey of 2-(1H-pyrrolo[2,3-c]pyridin-7-yl)-5-(trifluoromethyl)phenol?
The InChIKey is HGJHNPDVNSEBDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N2O/c15-14(16,17)9-1-2-10(11(20)7-9)13-12-8(3-5-18-12)4-6-19-13/h1-7,18,20H.
What are the key properties of 2-(1H-pyrrolo[2,3-c]pyridin-7-yl)-5-(trifluoromethyl)phenol?
2-(1H-pyrrolo[2,3-c]pyridin-7-yl)-5-(trifluoromethyl)phenol has a molecular weight of 278.23 g/mol, XLogP of 3.95, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-pyrrolo[2,3-c]pyridin-7-yl)-5-(trifluoromethyl)phenol is sourced from PubChem (CID 171697761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).