(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2-fluorophenyl)methanol

C14H10BrFN2O — CID 58086965

IUPAC(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2-fluorophenyl)methanol
SMILESOC(c1ccccc1F)c1c[nH]c2ncc(Br)cc12
InChIInChI=1S/C14H10BrFN2O/c15-8-5-10-11(7-18-14(10)17-6-8)13(19)9-3-1-2-4-12(9)16/h1-7,13,19H,(H,17,18)
InChIKeyAQKQPGLBQAOFJC-UHFFFAOYSA-N
MW321.15 g/mol
LogP3.55
Rot. Bonds2

About (5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2-fluorophenyl)methanol

(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2-fluorophenyl)methanol (PubChem CID 58086965) has the molecular formula C14H10BrFN2O and a molecular weight of 321.15 g/mol. Its IUPAC name is (5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2-fluorophenyl)methanol.

Molecular Properties

Compound Name(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2-fluorophenyl)methanol
PubChem CID58086965
Molecular FormulaC14H10BrFN2O
Molecular Weight321.15 g/mol
Exact Mass320.00
IUPAC Name(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2-fluorophenyl)methanol
SMILESOC(c1ccccc1F)c1c[nH]c2ncc(Br)cc12
InChIInChI=1S/C14H10BrFN2O/c15-8-5-10-11(7-18-14(10)17-6-8)13(19)9-3-1-2-4-12(9)16/h1-7,13,19H,(H,17,18)
InChIKeyAQKQPGLBQAOFJC-UHFFFAOYSA-N
XLogP3.55
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.15
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2-fluorophenyl)methanol?
The IUPAC name of (5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2-fluorophenyl)methanol (CID 58086965) is (5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2-fluorophenyl)methanol.
What is the SMILES notation for (5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2-fluorophenyl)methanol?
The canonical SMILES for (5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2-fluorophenyl)methanol is OC(c1ccccc1F)c1c[nH]c2ncc(Br)cc12.
What is the InChIKey of (5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2-fluorophenyl)methanol?
The InChIKey is AQKQPGLBQAOFJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrFN2O/c15-8-5-10-11(7-18-14(10)17-6-8)13(19)9-3-1-2-4-12(9)16/h1-7,13,19H,(H,17,18).
What are the key properties of (5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2-fluorophenyl)methanol?
(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2-fluorophenyl)methanol has a molecular weight of 321.15 g/mol, XLogP of 3.55, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2-fluorophenyl)methanol is sourced from PubChem (CID 58086965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).