5,6-dichloro-N-(3,5-dichloro-4-fluorophenyl)pyridine-3-carboxamide

C12H5Cl4FN2O — CID 107573379

IUPAC5,6-dichloro-N-(3,5-dichloro-4-fluorophenyl)pyridine-3-carboxamide
SMILESO=C(Nc1cc(Cl)c(F)c(Cl)c1)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C12H5Cl4FN2O/c13-7-2-6(3-8(14)10(7)17)19-12(20)5-1-9(15)11(16)18-4-5/h1-4H,(H,19,20)
InChIKeyGPQCSQJSYBSCLT-UHFFFAOYSA-N
MW354.00 g/mol
LogP5.09
Rot. Bonds2

About 5,6-dichloro-N-(3,5-dichloro-4-fluorophenyl)pyridine-3-carboxamide

5,6-dichloro-N-(3,5-dichloro-4-fluorophenyl)pyridine-3-carboxamide (PubChem CID 107573379) has the molecular formula C12H5Cl4FN2O and a molecular weight of 354.00 g/mol. Its IUPAC name is 5,6-dichloro-N-(3,5-dichloro-4-fluorophenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5,6-dichloro-N-(3,5-dichloro-4-fluorophenyl)pyridine-3-carboxamide
PubChem CID107573379
Molecular FormulaC12H5Cl4FN2O
Molecular Weight354.00 g/mol
Exact Mass351.91
IUPAC Name5,6-dichloro-N-(3,5-dichloro-4-fluorophenyl)pyridine-3-carboxamide
SMILESO=C(Nc1cc(Cl)c(F)c(Cl)c1)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C12H5Cl4FN2O/c13-7-2-6(3-8(14)10(7)17)19-12(20)5-1-9(15)11(16)18-4-5/h1-4H,(H,19,20)
InChIKeyGPQCSQJSYBSCLT-UHFFFAOYSA-N
XLogP5.09
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.00
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(4-carbamoylphenyl)-5,6-dichloropyridine-3-carboxamide
CID 7760364
5,6-dichloro-N-(2,4,5-trichlorophenyl)pyridine-3-carboxamide
CID 27687750
5,6-dichloro-N-(4-cyanophenyl)pyridine-3-carboxamide
CID 2477549
N-(3-bromophenyl)-5,6-dichloropyridine-3-carboxamide
CID 2095074
5-chloro-N-(3,5-dichloro-4-fluorophenyl)pyrazine-2-carboxamide
CID 107573378
5,6-dichloro-N-[4-(2-hydroxyethyl)phenyl]pyridine-3-carboxamide
CID 51985204
5,6-dichloro-N-(6-fluoro-2-pyridinyl)pyridine-3-carboxamide
CID 113462599
N-(3,5-dichloro-4-fluorophenyl)-6-(ethylamino)pyridine-3-carboxamide
CID 107578414
4-amino-3-chloro-N-(3,5-dichloro-4-fluorophenyl)benzamide
CID 107571216
N-(1,3-benzodioxol-5-yl)-5,6-dichloropyridine-3-carboxamide
CID 2471203
N-[4-[(2R)-butan-2-yl]phenyl]-5,6-dichloropyridine-3-carboxamide
CID 7935724
5,6-dichloro-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-3-carboxamide
CID 46799163

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-N-(3,5-dichloro-4-fluorophenyl)pyridine-3-carboxamide?
The IUPAC name of 5,6-dichloro-N-(3,5-dichloro-4-fluorophenyl)pyridine-3-carboxamide (CID 107573379) is 5,6-dichloro-N-(3,5-dichloro-4-fluorophenyl)pyridine-3-carboxamide.
What is the SMILES notation for 5,6-dichloro-N-(3,5-dichloro-4-fluorophenyl)pyridine-3-carboxamide?
The canonical SMILES for 5,6-dichloro-N-(3,5-dichloro-4-fluorophenyl)pyridine-3-carboxamide is O=C(Nc1cc(Cl)c(F)c(Cl)c1)c1cnc(Cl)c(Cl)c1.
What is the InChIKey of 5,6-dichloro-N-(3,5-dichloro-4-fluorophenyl)pyridine-3-carboxamide?
The InChIKey is GPQCSQJSYBSCLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5Cl4FN2O/c13-7-2-6(3-8(14)10(7)17)19-12(20)5-1-9(15)11(16)18-4-5/h1-4H,(H,19,20).
What are the key properties of 5,6-dichloro-N-(3,5-dichloro-4-fluorophenyl)pyridine-3-carboxamide?
5,6-dichloro-N-(3,5-dichloro-4-fluorophenyl)pyridine-3-carboxamide has a molecular weight of 354.00 g/mol, XLogP of 5.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-N-(3,5-dichloro-4-fluorophenyl)pyridine-3-carboxamide is sourced from PubChem (CID 107573379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).