5-bromo-N-(3-hydroxy-2-pyridinyl)-3-methyl-1-benzofuran-2-carboxamide

C15H11BrN2O3 — CID 18109302

IUPAC5-bromo-N-(3-hydroxy-2-pyridinyl)-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2ncccc2O)oc2ccc(Br)cc12
InChIInChI=1S/C15H11BrN2O3/c1-8-10-7-9(16)4-5-12(10)21-13(8)15(20)18-14-11(19)3-2-6-17-14/h2-7,19H,1H3,(H,17,18,20)
InChIKeyKNKYMPBFBISWDS-UHFFFAOYSA-N
MW347.17 g/mol
LogP3.86
Rot. Bonds2

About 5-bromo-N-(3-hydroxy-2-pyridinyl)-3-methyl-1-benzofuran-2-carboxamide

5-bromo-N-(3-hydroxy-2-pyridinyl)-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 18109302) has the molecular formula C15H11BrN2O3 and a molecular weight of 347.17 g/mol. Its IUPAC name is 5-bromo-N-(3-hydroxy-2-pyridinyl)-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(3-hydroxy-2-pyridinyl)-3-methyl-1-benzofuran-2-carboxamide
PubChem CID18109302
Molecular FormulaC15H11BrN2O3
Molecular Weight347.17 g/mol
Exact Mass346.00
IUPAC Name5-bromo-N-(3-hydroxy-2-pyridinyl)-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2ncccc2O)oc2ccc(Br)cc12
InChIInChI=1S/C15H11BrN2O3/c1-8-10-7-9(16)4-5-12(10)21-13(8)15(20)18-14-11(19)3-2-6-17-14/h2-7,19H,1H3,(H,17,18,20)
InChIKeyKNKYMPBFBISWDS-UHFFFAOYSA-N
XLogP3.86
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.17
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3-hydroxy-2-pyridinyl)-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of 5-bromo-N-(3-hydroxy-2-pyridinyl)-3-methyl-1-benzofuran-2-carboxamide (CID 18109302) is 5-bromo-N-(3-hydroxy-2-pyridinyl)-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(3-hydroxy-2-pyridinyl)-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-bromo-N-(3-hydroxy-2-pyridinyl)-3-methyl-1-benzofuran-2-carboxamide is Cc1c(C(=O)Nc2ncccc2O)oc2ccc(Br)cc12.
What is the InChIKey of 5-bromo-N-(3-hydroxy-2-pyridinyl)-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is KNKYMPBFBISWDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2O3/c1-8-10-7-9(16)4-5-12(10)21-13(8)15(20)18-14-11(19)3-2-6-17-14/h2-7,19H,1H3,(H,17,18,20).
What are the key properties of 5-bromo-N-(3-hydroxy-2-pyridinyl)-3-methyl-1-benzofuran-2-carboxamide?
5-bromo-N-(3-hydroxy-2-pyridinyl)-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 347.17 g/mol, XLogP of 3.86, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3-hydroxy-2-pyridinyl)-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 18109302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).