5-bromo-N-(5-bromo-6-methyl-2-pyridinyl)pyridine-3-carboxamide

C12H9Br2N3O — CID 1017562

IUPAC5-bromo-N-(5-bromo-6-methyl-2-pyridinyl)pyridine-3-carboxamide
SMILESCc1nc(NC(=O)c2cncc(Br)c2)ccc1Br
InChIInChI=1S/C12H9Br2N3O/c1-7-10(14)2-3-11(16-7)17-12(18)8-4-9(13)6-15-5-8/h2-6H,1H3,(H,16,17,18)
InChIKeyHKKZRGJKOUMIID-UHFFFAOYSA-N
MW371.03 g/mol
LogP3.56
Rot. Bonds2

About 5-bromo-N-(5-bromo-6-methyl-2-pyridinyl)pyridine-3-carboxamide

5-bromo-N-(5-bromo-6-methyl-2-pyridinyl)pyridine-3-carboxamide (PubChem CID 1017562) has the molecular formula C12H9Br2N3O and a molecular weight of 371.03 g/mol. Its IUPAC name is 5-bromo-N-(5-bromo-6-methyl-2-pyridinyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(5-bromo-6-methyl-2-pyridinyl)pyridine-3-carboxamide
PubChem CID1017562
Molecular FormulaC12H9Br2N3O
Molecular Weight371.03 g/mol
Exact Mass368.91
IUPAC Name5-bromo-N-(5-bromo-6-methyl-2-pyridinyl)pyridine-3-carboxamide
SMILESCc1nc(NC(=O)c2cncc(Br)c2)ccc1Br
InChIInChI=1S/C12H9Br2N3O/c1-7-10(14)2-3-11(16-7)17-12(18)8-4-9(13)6-15-5-8/h2-6H,1H3,(H,16,17,18)
InChIKeyHKKZRGJKOUMIID-UHFFFAOYSA-N
XLogP3.56
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.03
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(5-bromo-6-methyl-2-pyridinyl)pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-(5-bromo-6-methyl-2-pyridinyl)pyridine-3-carboxamide (CID 1017562) is 5-bromo-N-(5-bromo-6-methyl-2-pyridinyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(5-bromo-6-methyl-2-pyridinyl)pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-(5-bromo-6-methyl-2-pyridinyl)pyridine-3-carboxamide is Cc1nc(NC(=O)c2cncc(Br)c2)ccc1Br.
What is the InChIKey of 5-bromo-N-(5-bromo-6-methyl-2-pyridinyl)pyridine-3-carboxamide?
The InChIKey is HKKZRGJKOUMIID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Br2N3O/c1-7-10(14)2-3-11(16-7)17-12(18)8-4-9(13)6-15-5-8/h2-6H,1H3,(H,16,17,18).
What are the key properties of 5-bromo-N-(5-bromo-6-methyl-2-pyridinyl)pyridine-3-carboxamide?
5-bromo-N-(5-bromo-6-methyl-2-pyridinyl)pyridine-3-carboxamide has a molecular weight of 371.03 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(5-bromo-6-methyl-2-pyridinyl)pyridine-3-carboxamide is sourced from PubChem (CID 1017562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).