2,3,6-trichloro-N-pyridin-4-ylbenzamide

C12H7Cl3N2O — CID 59618030

IUPAC2,3,6-trichloro-N-pyridin-4-ylbenzamide
SMILESO=C(Nc1ccncc1)c1c(Cl)ccc(Cl)c1Cl
InChIInChI=1S/C12H7Cl3N2O/c13-8-1-2-9(14)11(15)10(8)12(18)17-7-3-5-16-6-4-7/h1-6H,(H,16,17,18)
InChIKeyKJKBJATYNGOKPO-UHFFFAOYSA-N
MW301.56 g/mol
LogP4.29
Rot. Bonds2

About 2,3,6-trichloro-N-pyridin-4-ylbenzamide

2,3,6-trichloro-N-pyridin-4-ylbenzamide (PubChem CID 59618030) has the molecular formula C12H7Cl3N2O and a molecular weight of 301.56 g/mol. Its IUPAC name is 2,3,6-trichloro-N-pyridin-4-ylbenzamide.

Molecular Properties

Compound Name2,3,6-trichloro-N-pyridin-4-ylbenzamide
PubChem CID59618030
Molecular FormulaC12H7Cl3N2O
Molecular Weight301.56 g/mol
Exact Mass299.96
IUPAC Name2,3,6-trichloro-N-pyridin-4-ylbenzamide
SMILESO=C(Nc1ccncc1)c1c(Cl)ccc(Cl)c1Cl
InChIInChI=1S/C12H7Cl3N2O/c13-8-1-2-9(14)11(15)10(8)12(18)17-7-3-5-16-6-4-7/h1-6H,(H,16,17,18)
InChIKeyKJKBJATYNGOKPO-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

6-chloro-2-fluoro-3-methyl-N-pyridin-4-ylbenzamide
CID 59618078
2,3,6-trichloro-N-(4-chlorophenyl)benzamide
CID 19171109
2-chloro-6-fluoro-N-pyridin-4-ylbenzamide
CID 25236808
2-chloro-6-methyl-N-pyridin-4-ylbenzamide
CID 59618146
2-chloro-3,6-difluoro-N-pyridin-4-ylbenzamide
CID 59618586
methanol;N-pyridin-4-ylpyridine-4-carboxamide
CID 158472241
2,4-dichloro-5-fluoro-N-pyridin-4-ylbenzamide
CID 27700283
3-chloro-N-pyridin-4-ylbenzamide
CID 849128
N-(4-chloro-3-fluorophenyl)pyridine-4-carboxamide
CID 47228006
2-amino-5-chloro-N-pyridin-4-ylbenzamide
CID 16770582
2-chloro-N-(3,4-dichlorophenyl)-6-fluorobenzamide
CID 26085744
2,3,6-trichloro-N-(2,4-dimethylphenyl)benzamide
CID 19166051

Frequently Asked Questions

What is the IUPAC name of 2,3,6-trichloro-N-pyridin-4-ylbenzamide?
The IUPAC name of 2,3,6-trichloro-N-pyridin-4-ylbenzamide (CID 59618030) is 2,3,6-trichloro-N-pyridin-4-ylbenzamide.
What is the SMILES notation for 2,3,6-trichloro-N-pyridin-4-ylbenzamide?
The canonical SMILES for 2,3,6-trichloro-N-pyridin-4-ylbenzamide is O=C(Nc1ccncc1)c1c(Cl)ccc(Cl)c1Cl.
What is the InChIKey of 2,3,6-trichloro-N-pyridin-4-ylbenzamide?
The InChIKey is KJKBJATYNGOKPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl3N2O/c13-8-1-2-9(14)11(15)10(8)12(18)17-7-3-5-16-6-4-7/h1-6H,(H,16,17,18).
What are the key properties of 2,3,6-trichloro-N-pyridin-4-ylbenzamide?
2,3,6-trichloro-N-pyridin-4-ylbenzamide 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 2,3,6-trichloro-N-pyridin-4-ylbenzamide is sourced from PubChem (CID 59618030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).