3-(4-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)-5-fluorophenol

C13H8ClFN2O — CID 172570950

IUPAC3-(4-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)-5-fluorophenol
SMILESOc1cc(F)cc(-c2cc3c(Cl)ccnc3[nH]2)c1
InChIInChI=1S/C13H8ClFN2O/c14-11-1-2-16-13-10(11)6-12(17-13)7-3-8(15)5-9(18)4-7/h1-6,18H,(H,16,17)
InChIKeySUZTVZKHOLMDAP-UHFFFAOYSA-N
MW262.67 g/mol
LogP3.73
Rot. Bonds1

About 3-(4-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)-5-fluorophenol

3-(4-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)-5-fluorophenol (PubChem CID 172570950) has the molecular formula C13H8ClFN2O and a molecular weight of 262.67 g/mol. Its IUPAC name is 3-(4-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)-5-fluorophenol.

Molecular Properties

Compound Name3-(4-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)-5-fluorophenol
PubChem CID172570950
Molecular FormulaC13H8ClFN2O
Molecular Weight262.67 g/mol
Exact Mass262.03
IUPAC Name3-(4-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)-5-fluorophenol
SMILESOc1cc(F)cc(-c2cc3c(Cl)ccnc3[nH]2)c1
InChIInChI=1S/C13H8ClFN2O/c14-11-1-2-16-13-10(11)6-12(17-13)7-3-8(15)5-9(18)4-7/h1-6,18H,(H,16,17)
InChIKeySUZTVZKHOLMDAP-UHFFFAOYSA-N
XLogP3.73
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.67
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)-5-fluorophenol?
The IUPAC name of 3-(4-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)-5-fluorophenol (CID 172570950) is 3-(4-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)-5-fluorophenol.
What is the SMILES notation for 3-(4-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)-5-fluorophenol?
The canonical SMILES for 3-(4-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)-5-fluorophenol is Oc1cc(F)cc(-c2cc3c(Cl)ccnc3[nH]2)c1.
What is the InChIKey of 3-(4-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)-5-fluorophenol?
The InChIKey is SUZTVZKHOLMDAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClFN2O/c14-11-1-2-16-13-10(11)6-12(17-13)7-3-8(15)5-9(18)4-7/h1-6,18H,(H,16,17).
What are the key properties of 3-(4-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)-5-fluorophenol?
3-(4-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)-5-fluorophenol has a molecular weight of 262.67 g/mol, XLogP of 3.73, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)-5-fluorophenol is sourced from PubChem (CID 172570950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).