4-chloro-N-(2,3,4,5,6-pentafluorophenyl)pyridine-2-carboxamide

C12H4ClF5N2O — CID 115279672

IUPAC4-chloro-N-(2,3,4,5,6-pentafluorophenyl)pyridine-2-carboxamide
SMILESO=C(Nc1c(F)c(F)c(F)c(F)c1F)c1cc(Cl)ccn1
InChIInChI=1S/C12H4ClF5N2O/c13-4-1-2-19-5(3-4)12(21)20-11-9(17)7(15)6(14)8(16)10(11)18/h1-3H,(H,20,21)
InChIKeyBQVYZOXZAAUFPM-UHFFFAOYSA-N
MW322.62 g/mol
LogP3.68
Rot. Bonds2

About 4-chloro-N-(2,3,4,5,6-pentafluorophenyl)pyridine-2-carboxamide

4-chloro-N-(2,3,4,5,6-pentafluorophenyl)pyridine-2-carboxamide (PubChem CID 115279672) has the molecular formula C12H4ClF5N2O and a molecular weight of 322.62 g/mol. Its IUPAC name is 4-chloro-N-(2,3,4,5,6-pentafluorophenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(2,3,4,5,6-pentafluorophenyl)pyridine-2-carboxamide
PubChem CID115279672
Molecular FormulaC12H4ClF5N2O
Molecular Weight322.62 g/mol
Exact Mass321.99
IUPAC Name4-chloro-N-(2,3,4,5,6-pentafluorophenyl)pyridine-2-carboxamide
SMILESO=C(Nc1c(F)c(F)c(F)c(F)c1F)c1cc(Cl)ccn1
InChIInChI=1S/C12H4ClF5N2O/c13-4-1-2-19-5(3-4)12(21)20-11-9(17)7(15)6(14)8(16)10(11)18/h1-3H,(H,20,21)
InChIKeyBQVYZOXZAAUFPM-UHFFFAOYSA-N
XLogP3.68
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.62
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-(5-chloro-2-fluorophenyl)pyridine-2-carboxamide
CID 43385379
4-chloro-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide
CID 30430877
4-chloro-N-hydroxypyridine-2-carboxamide
CID 83381234
4-chloro-N-(3-fluoro-2-iodophenyl)pyridine-2-carboxamide
CID 113340906
4-chloro-N-[2-[(4-chloropyridine-2-carbonyl)amino]phenyl]pyridine-2-carboxamide
CID 102274363
(4-chloropyridine-2-carbonyl)carbamic acid
CID 174620541
4-chloro-N-quinoxalin-6-ylpyridine-2-carboxamide
CID 47254903
N-(2-bromo-5-fluorophenyl)-4-chloropyridine-2-carboxamide
CID 103753577
4-chloro-N-(2-fluoro-6-phenoxyphenyl)pyridine-2-carboxamide
CID 86897836
4-chloro-N-(2-hydroxyphenyl)pyridine-2-carboxamide
CID 35852171
N-(3-carbamoyl-4-fluorophenyl)-4-chloropyridine-2-carboxamide
CID 60748722
4-chloro-N-cyclopent-3-en-1-ylpyridine-2-carboxamide
CID 115696706

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2,3,4,5,6-pentafluorophenyl)pyridine-2-carboxamide?
The IUPAC name of 4-chloro-N-(2,3,4,5,6-pentafluorophenyl)pyridine-2-carboxamide (CID 115279672) is 4-chloro-N-(2,3,4,5,6-pentafluorophenyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-chloro-N-(2,3,4,5,6-pentafluorophenyl)pyridine-2-carboxamide?
The canonical SMILES for 4-chloro-N-(2,3,4,5,6-pentafluorophenyl)pyridine-2-carboxamide is O=C(Nc1c(F)c(F)c(F)c(F)c1F)c1cc(Cl)ccn1.
What is the InChIKey of 4-chloro-N-(2,3,4,5,6-pentafluorophenyl)pyridine-2-carboxamide?
The InChIKey is BQVYZOXZAAUFPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H4ClF5N2O/c13-4-1-2-19-5(3-4)12(21)20-11-9(17)7(15)6(14)8(16)10(11)18/h1-3H,(H,20,21).
What are the key properties of 4-chloro-N-(2,3,4,5,6-pentafluorophenyl)pyridine-2-carboxamide?
4-chloro-N-(2,3,4,5,6-pentafluorophenyl)pyridine-2-carboxamide has a molecular weight of 322.62 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2,3,4,5,6-pentafluorophenyl)pyridine-2-carboxamide is sourced from PubChem (CID 115279672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).