2,6-dichloro-N-(3-fluoro-4-pyridinyl)pyridine-4-carboxamide

C11H6Cl2FN3O — CID 113342448

IUPAC2,6-dichloro-N-(3-fluoro-4-pyridinyl)pyridine-4-carboxamide
SMILESO=C(Nc1ccncc1F)c1cc(Cl)nc(Cl)c1
InChIInChI=1S/C11H6Cl2FN3O/c12-9-3-6(4-10(13)17-9)11(18)16-8-1-2-15-5-7(8)14/h1-5H,(H,15,16,18)
InChIKeyRSZAEZHFNZKIJD-UHFFFAOYSA-N
MW286.09 g/mol
LogP3.17
Rot. Bonds2

About 2,6-dichloro-N-(3-fluoro-4-pyridinyl)pyridine-4-carboxamide

2,6-dichloro-N-(3-fluoro-4-pyridinyl)pyridine-4-carboxamide (PubChem CID 113342448) has the molecular formula C11H6Cl2FN3O and a molecular weight of 286.09 g/mol. Its IUPAC name is 2,6-dichloro-N-(3-fluoro-4-pyridinyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2,6-dichloro-N-(3-fluoro-4-pyridinyl)pyridine-4-carboxamide
PubChem CID113342448
Molecular FormulaC11H6Cl2FN3O
Molecular Weight286.09 g/mol
Exact Mass284.99
IUPAC Name2,6-dichloro-N-(3-fluoro-4-pyridinyl)pyridine-4-carboxamide
SMILESO=C(Nc1ccncc1F)c1cc(Cl)nc(Cl)c1
InChIInChI=1S/C11H6Cl2FN3O/c12-9-3-6(4-10(13)17-9)11(18)16-8-1-2-15-5-7(8)14/h1-5H,(H,15,16,18)
InChIKeyRSZAEZHFNZKIJD-UHFFFAOYSA-N
XLogP3.17
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.09
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,6-dichloro-N-(3-fluoro-4-pyridinyl)pyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-6-(ethylamino)-N-(3-fluoro-4-pyridinyl)pyridine-4-carboxamide
CID 107595523
3-bromo-5-chloro-N-(3-fluoro-4-pyridinyl)benzamide
CID 113343068
2,6-dichloro-N-(2,4-difluorophenyl)pyridine-4-carboxamide
CID 26722050
2,6-dichloro-N-(5-chloro-2-fluorophenyl)pyridine-4-carboxamide
CID 43384924
2-chloro-N-(3-fluoro-4-pyridinyl)quinoline-4-carboxamide
CID 103874447
4-bromo-3-fluoro-N-(3-fluoro-4-pyridinyl)benzamide
CID 103871197
5-chloro-N-(3-fluoro-4-pyridinyl)-6-(methylamino)pyridine-3-carboxamide
CID 107595440
4-(bromomethyl)-N-(3-fluoro-4-pyridinyl)benzamide
CID 107594820
N-(3-fluoro-4-pyridinyl)-3-hydroxy-4-methoxybenzamide
CID 103874413
2-(ethylamino)-N-(3-fluoro-4-pyridinyl)-6-methylpyridine-4-carboxamide
CID 107595487
6-bromo-N-(3-fluoro-4-pyridinyl)pyridine-3-carboxamide
CID 103874439
N-(3-fluoro-4-pyridinyl)-2-(methylamino)-6-propylpyridine-4-carboxamide
CID 107595546

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-(3-fluoro-4-pyridinyl)pyridine-4-carboxamide?
The IUPAC name of 2,6-dichloro-N-(3-fluoro-4-pyridinyl)pyridine-4-carboxamide (CID 113342448) is 2,6-dichloro-N-(3-fluoro-4-pyridinyl)pyridine-4-carboxamide.
What is the SMILES notation for 2,6-dichloro-N-(3-fluoro-4-pyridinyl)pyridine-4-carboxamide?
The canonical SMILES for 2,6-dichloro-N-(3-fluoro-4-pyridinyl)pyridine-4-carboxamide is O=C(Nc1ccncc1F)c1cc(Cl)nc(Cl)c1.
What is the InChIKey of 2,6-dichloro-N-(3-fluoro-4-pyridinyl)pyridine-4-carboxamide?
The InChIKey is RSZAEZHFNZKIJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Cl2FN3O/c12-9-3-6(4-10(13)17-9)11(18)16-8-1-2-15-5-7(8)14/h1-5H,(H,15,16,18).
What are the key properties of 2,6-dichloro-N-(3-fluoro-4-pyridinyl)pyridine-4-carboxamide?
2,6-dichloro-N-(3-fluoro-4-pyridinyl)pyridine-4-carboxamide has a molecular weight of 286.09 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-(3-fluoro-4-pyridinyl)pyridine-4-carboxamide is sourced from PubChem (CID 113342448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).