N-(2,4,5-trichlorophenyl)pyridine-4-carboxamide

C12H7Cl3N2O — CID 4098506

IUPACN-(2,4,5-trichlorophenyl)pyridine-4-carboxamide
SMILESO=C(Nc1cc(Cl)c(Cl)cc1Cl)c1ccncc1
InChIInChI=1S/C12H7Cl3N2O/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)
InChIKeyIOGADORVADNCCN-UHFFFAOYSA-N
MW301.56 g/mol
LogP4.29
Rot. Bonds2

About N-(2,4,5-trichlorophenyl)pyridine-4-carboxamide

N-(2,4,5-trichlorophenyl)pyridine-4-carboxamide (PubChem CID 4098506) has the molecular formula C12H7Cl3N2O and a molecular weight of 301.56 g/mol. Its IUPAC name is N-(2,4,5-trichlorophenyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2,4,5-trichlorophenyl)pyridine-4-carboxamide
PubChem CID4098506
Molecular FormulaC12H7Cl3N2O
Molecular Weight301.56 g/mol
Exact Mass299.96
IUPAC NameN-(2,4,5-trichlorophenyl)pyridine-4-carboxamide
SMILESO=C(Nc1cc(Cl)c(Cl)cc1Cl)c1ccncc1
InChIInChI=1S/C12H7Cl3N2O/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)
InChIKeyIOGADORVADNCCN-UHFFFAOYSA-N
XLogP4.29
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.56
LogP ≤ 54.29
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-(4,5-dichloro-2-fluorophenyl)pyridine-4-carboxamide
CID 100692060
4-chloro-3-(pyridine-4-carbonylamino)benzoic acid
CID 24688561
4-hydroxy-N-(2,4,5-trichlorophenyl)benzamide
CID 28534866
N-(2-chlorophenyl)pyridine-4-carboxamide;hydrochloride
CID 110756414
N-(2-bromo-5-chloro-4-methylphenyl)pyridine-4-carboxamide
CID 104723857
3-chloro-4-(pyridine-4-carbonylamino)benzenesulfonyl chloride
CID 43110736
3,5-dichloro-N-(2,4,5-trichlorophenyl)benzamide
CID 17133480
N-[2,5-dimethyl-4-(pyridine-4-carbonylamino)phenyl]pyridine-4-carboxamide
CID 163197723
3-chloro-N-(2,4,5-trichlorophenyl)benzamide
CID 854431
3-chloro-4-iodo-N-(2,4,5-trichlorophenyl)benzamide
CID 103220934
N-(2-bromo-5-chlorophenyl)pyridine-4-carboxamide
CID 81272185
ethyl 4-chloro-3-(pyridine-4-carbonylamino)benzoate
CID 7311998

Frequently Asked Questions

What is the IUPAC name of N-(2,4,5-trichlorophenyl)pyridine-4-carboxamide?
The IUPAC name of N-(2,4,5-trichlorophenyl)pyridine-4-carboxamide (CID 4098506) is N-(2,4,5-trichlorophenyl)pyridine-4-carboxamide.
What is the SMILES notation for N-(2,4,5-trichlorophenyl)pyridine-4-carboxamide?
The canonical SMILES for N-(2,4,5-trichlorophenyl)pyridine-4-carboxamide is O=C(Nc1cc(Cl)c(Cl)cc1Cl)c1ccncc1.
What is the InChIKey of N-(2,4,5-trichlorophenyl)pyridine-4-carboxamide?
The InChIKey is IOGADORVADNCCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl3N2O/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-(2,4,5-trichlorophenyl)pyridine-4-carboxamide?
N-(2,4,5-trichlorophenyl)pyridine-4-carboxamide has a molecular weight of 301.56 g/mol, XLogP of 4.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4,5-trichlorophenyl)pyridine-4-carboxamide is sourced from PubChem (CID 4098506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).