N-(4,5-dichloro-2-fluorophenyl)pyridine-4-carboxamide

C12H7Cl2FN2O — CID 100692060

IUPACN-(4,5-dichloro-2-fluorophenyl)pyridine-4-carboxamide
SMILESO=C(Nc1cc(Cl)c(Cl)cc1F)c1ccncc1
InChIInChI=1S/C12H7Cl2FN2O/c13-8-5-10(15)11(6-9(8)14)17-12(18)7-1-3-16-4-2-7/h1-6H,(H,17,18)
InChIKeyXUZXOQQBJFDVJI-UHFFFAOYSA-N
MW285.11 g/mol
LogP3.78
Rot. Bonds2

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

N-(4,5-dichloro-2-fluorophenyl)pyridine-4-carboxamide (PubChem CID 100692060) has the molecular formula C12H7Cl2FN2O and a molecular weight of 285.11 g/mol. Its IUPAC name is N-(4,5-dichloro-2-fluorophenyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(4,5-dichloro-2-fluorophenyl)pyridine-4-carboxamide
PubChem CID100692060
Molecular FormulaC12H7Cl2FN2O
Molecular Weight285.11 g/mol
Exact Mass283.99
IUPAC NameN-(4,5-dichloro-2-fluorophenyl)pyridine-4-carboxamide
SMILESO=C(Nc1cc(Cl)c(Cl)cc1F)c1ccncc1
InChIInChI=1S/C12H7Cl2FN2O/c13-8-5-10(15)11(6-9(8)14)17-12(18)7-1-3-16-4-2-7/h1-6H,(H,17,18)
InChIKeyXUZXOQQBJFDVJI-UHFFFAOYSA-N
XLogP3.78
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.11
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2,4,5-trichlorophenyl)pyridine-4-carboxamide
CID 4098506
N-(4-chloro-3-fluorophenyl)pyridine-4-carboxamide
CID 47228006
N-(5-bromo-2-fluorophenyl)pyridine-4-carboxamide
CID 110779492
N-(2-chlorophenyl)pyridine-4-carboxamide;hydrochloride
CID 110756414
4-chloro-3-(pyridine-4-carbonylamino)benzoic acid
CID 24688561
N-(2-amino-4-fluorophenyl)pyridine-4-carboxamide
CID 16772506
N-(2-bromo-5-chlorophenyl)pyridine-4-carboxamide
CID 81272185
N-(2-bromo-5-chloro-4-methylphenyl)pyridine-4-carboxamide
CID 104723857
N-(2,3-difluorophenyl)pyridine-4-carboxamide
CID 47450883
N-[3-chloro-2-hydroxy-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 66879857
N-[2,5-dimethyl-4-(pyridine-4-carbonylamino)phenyl]pyridine-4-carboxamide
CID 163197723
N-(2-bromo-4-fluorophenyl)pyridine-4-carboxamide
CID 28938574

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dichloro-2-fluorophenyl)pyridine-4-carboxamide?
The IUPAC name of N-(4,5-dichloro-2-fluorophenyl)pyridine-4-carboxamide (CID 100692060) is N-(4,5-dichloro-2-fluorophenyl)pyridine-4-carboxamide.
What is the SMILES notation for N-(4,5-dichloro-2-fluorophenyl)pyridine-4-carboxamide?
The canonical SMILES for N-(4,5-dichloro-2-fluorophenyl)pyridine-4-carboxamide is O=C(Nc1cc(Cl)c(Cl)cc1F)c1ccncc1.
What is the InChIKey of N-(4,5-dichloro-2-fluorophenyl)pyridine-4-carboxamide?
The InChIKey is XUZXOQQBJFDVJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2FN2O/c13-8-5-10(15)11(6-9(8)14)17-12(18)7-1-3-16-4-2-7/h1-6H,(H,17,18).
What are the key properties of N-(4,5-dichloro-2-fluorophenyl)pyridine-4-carboxamide?
N-(4,5-dichloro-2-fluorophenyl)pyridine-4-carboxamide has a molecular weight of 285.11 g/mol, XLogP of 3.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dichloro-2-fluorophenyl)pyridine-4-carboxamide is sourced from PubChem (CID 100692060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).