6-bromo-N-(3-fluoro-4-pyridinyl)pyridine-3-carboxamide

C11H7BrFN3O — CID 103874439

IUPAC6-bromo-N-(3-fluoro-4-pyridinyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccncc1F)c1ccc(Br)nc1
InChIInChI=1S/C11H7BrFN3O/c12-10-2-1-7(5-15-10)11(17)16-9-3-4-14-6-8(9)13/h1-6H,(H,14,16,17)
InChIKeyKYBPQGQPABTKPY-UHFFFAOYSA-N
MW296.10 g/mol
LogP2.63
Rot. Bonds2

About 6-bromo-N-(3-fluoro-4-pyridinyl)pyridine-3-carboxamide

6-bromo-N-(3-fluoro-4-pyridinyl)pyridine-3-carboxamide (PubChem CID 103874439) has the molecular formula C11H7BrFN3O and a molecular weight of 296.10 g/mol. Its IUPAC name is 6-bromo-N-(3-fluoro-4-pyridinyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-bromo-N-(3-fluoro-4-pyridinyl)pyridine-3-carboxamide
PubChem CID103874439
Molecular FormulaC11H7BrFN3O
Molecular Weight296.10 g/mol
Exact Mass294.98
IUPAC Name6-bromo-N-(3-fluoro-4-pyridinyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccncc1F)c1ccc(Br)nc1
InChIInChI=1S/C11H7BrFN3O/c12-10-2-1-7(5-15-10)11(17)16-9-3-4-14-6-8(9)13/h1-6H,(H,14,16,17)
InChIKeyKYBPQGQPABTKPY-UHFFFAOYSA-N
XLogP2.63
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.10
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-bromo-3-fluoro-N-(3-fluoro-4-pyridinyl)benzamide
CID 103871197
4-(bromomethyl)-N-(3-fluoro-4-pyridinyl)benzamide
CID 107594820
6-bromo-N-(3,4-difluorophenyl)pyridine-3-carboxamide
CID 66462669
6-bromo-N-(2-bromo-5-fluorophenyl)pyridine-3-carboxamide
CID 103753509
6-bromo-N-(3-bromo-4-fluorophenyl)pyridine-3-carboxamide
CID 115669904
3-bromo-5-chloro-N-(3-fluoro-4-pyridinyl)benzamide
CID 113343068
6-bromo-N-(2,3,5,6-tetrafluorophenyl)pyridine-3-carboxamide
CID 107641573
2,6-dichloro-N-(3-fluoro-4-pyridinyl)pyridine-4-carboxamide
CID 113342448
2-[(6-bromopyridine-3-carbonyl)amino]-5-fluorobenzoic acid
CID 66468619
6-bromo-N-(2-iodophenyl)pyridine-3-carboxamide
CID 66465043
2-bromo-3-fluoro-N-(3-fluoro-4-pyridinyl)benzamide
CID 107595178
5-chloro-N-(3-fluoro-4-pyridinyl)-6-(methylamino)pyridine-3-carboxamide
CID 107595440

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(3-fluoro-4-pyridinyl)pyridine-3-carboxamide?
The IUPAC name of 6-bromo-N-(3-fluoro-4-pyridinyl)pyridine-3-carboxamide (CID 103874439) is 6-bromo-N-(3-fluoro-4-pyridinyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-bromo-N-(3-fluoro-4-pyridinyl)pyridine-3-carboxamide?
The canonical SMILES for 6-bromo-N-(3-fluoro-4-pyridinyl)pyridine-3-carboxamide is O=C(Nc1ccncc1F)c1ccc(Br)nc1.
What is the InChIKey of 6-bromo-N-(3-fluoro-4-pyridinyl)pyridine-3-carboxamide?
The InChIKey is KYBPQGQPABTKPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrFN3O/c12-10-2-1-7(5-15-10)11(17)16-9-3-4-14-6-8(9)13/h1-6H,(H,14,16,17).
What are the key properties of 6-bromo-N-(3-fluoro-4-pyridinyl)pyridine-3-carboxamide?
6-bromo-N-(3-fluoro-4-pyridinyl)pyridine-3-carboxamide has a molecular weight of 296.10 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(3-fluoro-4-pyridinyl)pyridine-3-carboxamide is sourced from PubChem (CID 103874439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).