2-bromo-5-fluoro-N-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)benzamide

C15H11BrFN3O — CID 134792173

IUPAC2-bromo-5-fluoro-N-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)benzamide
SMILESO=C(NCc1ccnc2[nH]ccc12)c1cc(F)ccc1Br
InChIInChI=1S/C15H11BrFN3O/c16-13-2-1-10(17)7-12(13)15(21)20-8-9-3-5-18-14-11(9)4-6-19-14/h1-7H,8H2,(H,18,19)(H,20,21)
InChIKeyWBVVUIQZQOMMMU-UHFFFAOYSA-N
MW348.18 g/mol
LogP3.39
Rot. Bonds3

About 2-bromo-5-fluoro-N-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)benzamide

2-bromo-5-fluoro-N-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)benzamide (PubChem CID 134792173) has the molecular formula C15H11BrFN3O and a molecular weight of 348.18 g/mol. Its IUPAC name is 2-bromo-5-fluoro-N-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)benzamide.

Molecular Properties

Compound Name2-bromo-5-fluoro-N-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)benzamide
PubChem CID134792173
Molecular FormulaC15H11BrFN3O
Molecular Weight348.18 g/mol
Exact Mass347.01
IUPAC Name2-bromo-5-fluoro-N-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)benzamide
SMILESO=C(NCc1ccnc2[nH]ccc12)c1cc(F)ccc1Br
InChIInChI=1S/C15H11BrFN3O/c16-13-2-1-10(17)7-12(13)15(21)20-8-9-3-5-18-14-11(9)4-6-19-14/h1-7H,8H2,(H,18,19)(H,20,21)
InChIKeyWBVVUIQZQOMMMU-UHFFFAOYSA-N
XLogP3.39
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.18
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-fluoro-N-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)benzamide?
The IUPAC name of 2-bromo-5-fluoro-N-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)benzamide (CID 134792173) is 2-bromo-5-fluoro-N-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)benzamide.
What is the SMILES notation for 2-bromo-5-fluoro-N-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)benzamide?
The canonical SMILES for 2-bromo-5-fluoro-N-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)benzamide is O=C(NCc1ccnc2[nH]ccc12)c1cc(F)ccc1Br.
What is the InChIKey of 2-bromo-5-fluoro-N-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)benzamide?
The InChIKey is WBVVUIQZQOMMMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrFN3O/c16-13-2-1-10(17)7-12(13)15(21)20-8-9-3-5-18-14-11(9)4-6-19-14/h1-7H,8H2,(H,18,19)(H,20,21).
What are the key properties of 2-bromo-5-fluoro-N-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)benzamide?
2-bromo-5-fluoro-N-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)benzamide has a molecular weight of 348.18 g/mol, XLogP of 3.39, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-fluoro-N-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)benzamide is sourced from PubChem (CID 134792173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).