2,5-dichloro-N-(4-fluoro-2-methylphenyl)pyridine-4-carboxamide

C13H9Cl2FN2O — CID 114917077

IUPAC2,5-dichloro-N-(4-fluoro-2-methylphenyl)pyridine-4-carboxamide
SMILESCc1cc(F)ccc1NC(=O)c1cc(Cl)ncc1Cl
InChIInChI=1S/C13H9Cl2FN2O/c1-7-4-8(16)2-3-11(7)18-13(19)9-5-12(15)17-6-10(9)14/h2-6H,1H3,(H,18,19)
InChIKeyLBHVTRIQQIDMGX-UHFFFAOYSA-N
MW299.13 g/mol
LogP4.09
Rot. Bonds2

About 2,5-dichloro-N-(4-fluoro-2-methylphenyl)pyridine-4-carboxamide

2,5-dichloro-N-(4-fluoro-2-methylphenyl)pyridine-4-carboxamide (PubChem CID 114917077) has the molecular formula C13H9Cl2FN2O and a molecular weight of 299.13 g/mol. Its IUPAC name is 2,5-dichloro-N-(4-fluoro-2-methylphenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2,5-dichloro-N-(4-fluoro-2-methylphenyl)pyridine-4-carboxamide
PubChem CID114917077
Molecular FormulaC13H9Cl2FN2O
Molecular Weight299.13 g/mol
Exact Mass298.01
IUPAC Name2,5-dichloro-N-(4-fluoro-2-methylphenyl)pyridine-4-carboxamide
SMILESCc1cc(F)ccc1NC(=O)c1cc(Cl)ncc1Cl
InChIInChI=1S/C13H9Cl2FN2O/c1-7-4-8(16)2-3-11(7)18-13(19)9-5-12(15)17-6-10(9)14/h2-6H,1H3,(H,18,19)
InChIKeyLBHVTRIQQIDMGX-UHFFFAOYSA-N
XLogP4.09
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.13
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,5-dichloro-N-(4-fluoro-2-methoxyphenyl)pyridine-4-carboxamide
CID 114918264
2-chloro-4-fluoro-N-(4-fluoro-2-methylphenyl)benzamide
CID 6468797
1-N,2-N-bis(4-fluoro-2-methylphenyl)benzene-1,2-dicarboxamide
CID 2811694
N-(2-bromo-5-chloro-4-methylphenyl)-2,5-dichloropyridine-4-carboxamide
CID 114918857
6-amino-5-chloro-N-(4-fluoro-2-methylphenyl)pyridine-3-carboxamide
CID 62156604
2-chloro-N-(4-fluoro-2-methylphenyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide
CID 2780354
5-amino-2,3-dichloro-N-(4-fluoro-2-methylphenyl)benzamide
CID 107183229
6-chloro-4-(4-fluoro-2-methylanilino)pyridine-3-carboxylic acid
CID 164529757
5-chloro-N-(2-chloro-4-fluorophenyl)-2-(ethylamino)pyridine-4-carboxamide
CID 114922085
N-(2-bromo-4-fluorophenyl)-5-chloro-2-(methylamino)pyridine-4-carboxamide
CID 114922037
N-(4-fluoro-2-methylphenyl)-5-hydrazinylpyridine-2-carboxamide
CID 104642384
2-bromo-4-fluoro-N-(4-fluoro-2-methylphenyl)benzamide
CID 9192994

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(4-fluoro-2-methylphenyl)pyridine-4-carboxamide?
The IUPAC name of 2,5-dichloro-N-(4-fluoro-2-methylphenyl)pyridine-4-carboxamide (CID 114917077) is 2,5-dichloro-N-(4-fluoro-2-methylphenyl)pyridine-4-carboxamide.
What is the SMILES notation for 2,5-dichloro-N-(4-fluoro-2-methylphenyl)pyridine-4-carboxamide?
The canonical SMILES for 2,5-dichloro-N-(4-fluoro-2-methylphenyl)pyridine-4-carboxamide is Cc1cc(F)ccc1NC(=O)c1cc(Cl)ncc1Cl.
What is the InChIKey of 2,5-dichloro-N-(4-fluoro-2-methylphenyl)pyridine-4-carboxamide?
The InChIKey is LBHVTRIQQIDMGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2FN2O/c1-7-4-8(16)2-3-11(7)18-13(19)9-5-12(15)17-6-10(9)14/h2-6H,1H3,(H,18,19).
What are the key properties of 2,5-dichloro-N-(4-fluoro-2-methylphenyl)pyridine-4-carboxamide?
2,5-dichloro-N-(4-fluoro-2-methylphenyl)pyridine-4-carboxamide has a molecular weight of 299.13 g/mol, XLogP of 4.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(4-fluoro-2-methylphenyl)pyridine-4-carboxamide is sourced from PubChem (CID 114917077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).