2,6-dichloro-N-(4-fluorophenyl)-N-methylpyridine-4-carboxamide

C13H9Cl2FN2O — CID 61062805

IUPAC2,6-dichloro-N-(4-fluorophenyl)-N-methylpyridine-4-carboxamide
SMILESCN(C(=O)c1cc(Cl)nc(Cl)c1)c1ccc(F)cc1
InChIInChI=1S/C13H9Cl2FN2O/c1-18(10-4-2-9(16)3-5-10)13(19)8-6-11(14)17-12(15)7-8/h2-7H,1H3
InChIKeyAWVUZKMLOKEVCY-UHFFFAOYSA-N
MW299.13 g/mol
LogP3.80
Rot. Bonds2

About 2,6-dichloro-N-(4-fluorophenyl)-N-methylpyridine-4-carboxamide

2,6-dichloro-N-(4-fluorophenyl)-N-methylpyridine-4-carboxamide (PubChem CID 61062805) has the molecular formula C13H9Cl2FN2O and a molecular weight of 299.13 g/mol. Its IUPAC name is 2,6-dichloro-N-(4-fluorophenyl)-N-methylpyridine-4-carboxamide.

Molecular Properties

Compound Name2,6-dichloro-N-(4-fluorophenyl)-N-methylpyridine-4-carboxamide
PubChem CID61062805
Molecular FormulaC13H9Cl2FN2O
Molecular Weight299.13 g/mol
Exact Mass298.01
IUPAC Name2,6-dichloro-N-(4-fluorophenyl)-N-methylpyridine-4-carboxamide
SMILESCN(C(=O)c1cc(Cl)nc(Cl)c1)c1ccc(F)cc1
InChIInChI=1S/C13H9Cl2FN2O/c1-18(10-4-2-9(16)3-5-10)13(19)8-6-11(14)17-12(15)7-8/h2-7H,1H3
InChIKeyAWVUZKMLOKEVCY-UHFFFAOYSA-N
XLogP3.80
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.13
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(4-fluorophenyl)-N-methylpyridine-4-carboxamide
CID 61061331
2,6-dichloro-N-methyl-N-(4-nitrophenyl)pyridine-4-carboxamide
CID 43090842
N-(4-fluorophenyl)-3,4-dihydroxy-N-methylbenzamide
CID 103956579
2-chloro-N-(3-fluorophenyl)-N,6-dimethylpyridine-4-carboxamide
CID 113378414
2-amino-6-chloro-N-(4-ethylphenyl)-N-methylpyridine-4-carboxamide
CID 62161111
2-chloro-6-hydrazinyl-N-methyl-N-(4-methylphenyl)pyridine-4-carboxamide
CID 62249266
N-[4-[acetyl(methyl)amino]phenyl]-4-fluoro-N-methylbenzamide
CID 113094823
N-(4-fluorophenyl)-N,4-dimethylbenzamide
CID 90825251
5-chloro-2-fluoro-N-(4-fluorophenyl)-N-methylbenzamide
CID 61061330
5-chloro-N-(4-fluorophenyl)-2-hydroxy-N-methylbenzamide
CID 61063244
2-bromo-N-(4-fluorophenyl)-N-methylpyridine-4-carboxamide
CID 103752537
N-(4-carbamothioylphenyl)-4-fluoro-N-methylbenzamide
CID 62971873

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-(4-fluorophenyl)-N-methylpyridine-4-carboxamide?
The IUPAC name of 2,6-dichloro-N-(4-fluorophenyl)-N-methylpyridine-4-carboxamide (CID 61062805) is 2,6-dichloro-N-(4-fluorophenyl)-N-methylpyridine-4-carboxamide.
What is the SMILES notation for 2,6-dichloro-N-(4-fluorophenyl)-N-methylpyridine-4-carboxamide?
The canonical SMILES for 2,6-dichloro-N-(4-fluorophenyl)-N-methylpyridine-4-carboxamide is CN(C(=O)c1cc(Cl)nc(Cl)c1)c1ccc(F)cc1.
What is the InChIKey of 2,6-dichloro-N-(4-fluorophenyl)-N-methylpyridine-4-carboxamide?
The InChIKey is AWVUZKMLOKEVCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2FN2O/c1-18(10-4-2-9(16)3-5-10)13(19)8-6-11(14)17-12(15)7-8/h2-7H,1H3.
What are the key properties of 2,6-dichloro-N-(4-fluorophenyl)-N-methylpyridine-4-carboxamide?
2,6-dichloro-N-(4-fluorophenyl)-N-methylpyridine-4-carboxamide has a molecular weight of 299.13 g/mol, XLogP of 3.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-(4-fluorophenyl)-N-methylpyridine-4-carboxamide is sourced from PubChem (CID 61062805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).