5-bromo-N-pyridin-4-ylpyridine-3-carboxamide

C11H8BrN3O — CID 2227730

IUPAC5-bromo-N-pyridin-4-ylpyridine-3-carboxamide
SMILESO=C(Nc1ccncc1)c1cncc(Br)c1
InChIInChI=1S/C11H8BrN3O/c12-9-5-8(6-14-7-9)11(16)15-10-1-3-13-4-2-10/h1-7H,(H,13,15,16)
InChIKeyXLRRWKQMUTVURI-UHFFFAOYSA-N
MW278.11 g/mol
LogP2.49
Rot. Bonds2

About 5-bromo-N-pyridin-4-ylpyridine-3-carboxamide

5-bromo-N-pyridin-4-ylpyridine-3-carboxamide (PubChem CID 2227730) has the molecular formula C11H8BrN3O and a molecular weight of 278.11 g/mol. Its IUPAC name is 5-bromo-N-pyridin-4-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-pyridin-4-ylpyridine-3-carboxamide
PubChem CID2227730
Molecular FormulaC11H8BrN3O
Molecular Weight278.11 g/mol
Exact Mass276.99
IUPAC Name5-bromo-N-pyridin-4-ylpyridine-3-carboxamide
SMILESO=C(Nc1ccncc1)c1cncc(Br)c1
InChIInChI=1S/C11H8BrN3O/c12-9-5-8(6-14-7-9)11(16)15-10-1-3-13-4-2-10/h1-7H,(H,13,15,16)
InChIKeyXLRRWKQMUTVURI-UHFFFAOYSA-N
XLogP2.49
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.11
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-pyridin-4-ylpyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-pyridin-4-ylpyridine-3-carboxamide (CID 2227730) is 5-bromo-N-pyridin-4-ylpyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-pyridin-4-ylpyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-pyridin-4-ylpyridine-3-carboxamide is O=C(Nc1ccncc1)c1cncc(Br)c1.
What is the InChIKey of 5-bromo-N-pyridin-4-ylpyridine-3-carboxamide?
The InChIKey is XLRRWKQMUTVURI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrN3O/c12-9-5-8(6-14-7-9)11(16)15-10-1-3-13-4-2-10/h1-7H,(H,13,15,16).
What are the key properties of 5-bromo-N-pyridin-4-ylpyridine-3-carboxamide?
5-bromo-N-pyridin-4-ylpyridine-3-carboxamide has a molecular weight of 278.11 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-pyridin-4-ylpyridine-3-carboxamide is sourced from PubChem (CID 2227730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).