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

C13H8Cl3FN2O — CID 106509693

IUPAC4-chloro-N-(3,5-dichloro-4-fluorophenyl)-6-methylpyridine-3-carboxamide
SMILESCc1cc(Cl)c(C(=O)Nc2cc(Cl)c(F)c(Cl)c2)cn1
InChIInChI=1S/C13H8Cl3FN2O/c1-6-2-9(14)8(5-18-6)13(20)19-7-3-10(15)12(17)11(16)4-7/h2-5H,1H3,(H,19,20)
InChIKeyHJGRKWHRGTZITD-UHFFFAOYSA-N
MW333.58 g/mol
LogP4.74
Rot. Bonds2

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

4-chloro-N-(3,5-dichloro-4-fluorophenyl)-6-methylpyridine-3-carboxamide (PubChem CID 106509693) has the molecular formula C13H8Cl3FN2O and a molecular weight of 333.58 g/mol. Its IUPAC name is 4-chloro-N-(3,5-dichloro-4-fluorophenyl)-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(3,5-dichloro-4-fluorophenyl)-6-methylpyridine-3-carboxamide
PubChem CID106509693
Molecular FormulaC13H8Cl3FN2O
Molecular Weight333.58 g/mol
Exact Mass331.97
IUPAC Name4-chloro-N-(3,5-dichloro-4-fluorophenyl)-6-methylpyridine-3-carboxamide
SMILESCc1cc(Cl)c(C(=O)Nc2cc(Cl)c(F)c(Cl)c2)cn1
InChIInChI=1S/C13H8Cl3FN2O/c1-6-2-9(14)8(5-18-6)13(20)19-7-3-10(15)12(17)11(16)4-7/h2-5H,1H3,(H,19,20)
InChIKeyHJGRKWHRGTZITD-UHFFFAOYSA-N
XLogP4.74
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.58
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-(3-fluoro-5-methylphenyl)-6-methylpyridine-3-carboxamide
CID 81232937
4-chloro-N-(3-chloro-4-fluorophenyl)-6-methylpyridine-3-carboxamide
CID 81225961
4-chloro-N-(4-chloro-3-fluorophenyl)-6-methylpyridine-3-carboxamide
CID 81226487
4-chloro-N-(4-chlorophenyl)-6-methylpyridine-3-carboxamide
CID 81225292
4-chloro-6-methyl-N-(1H-pyrazol-4-yl)pyridine-3-carboxamide
CID 81225722
N-(3-acetamidophenyl)-4-chloro-6-methylpyridine-3-carboxamide
CID 81228962
N-(3-bromo-4-methylphenyl)-4-chloro-6-methylpyridine-3-carboxamide
CID 81226921
4-chloro-6-methyl-N-(3-propan-2-ylphenyl)pyridine-3-carboxamide
CID 81225795
4-chloro-N-(3-iodo-4-methylphenyl)-6-methylpyridine-3-carboxamide
CID 81226857
4-chloro-N-(5-chloro-2-pyridinyl)-6-methylpyridine-3-carboxamide
CID 81225634
4-chloro-6-methyl-N-(2,4,6-triiodophenyl)pyridine-3-carboxamide
CID 81226665
N-tert-butyl-4-chloro-6-methylpyridine-3-carboxamide
CID 81226013

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3,5-dichloro-4-fluorophenyl)-6-methylpyridine-3-carboxamide?
The IUPAC name of 4-chloro-N-(3,5-dichloro-4-fluorophenyl)-6-methylpyridine-3-carboxamide (CID 106509693) is 4-chloro-N-(3,5-dichloro-4-fluorophenyl)-6-methylpyridine-3-carboxamide.
What is the SMILES notation for 4-chloro-N-(3,5-dichloro-4-fluorophenyl)-6-methylpyridine-3-carboxamide?
The canonical SMILES for 4-chloro-N-(3,5-dichloro-4-fluorophenyl)-6-methylpyridine-3-carboxamide is Cc1cc(Cl)c(C(=O)Nc2cc(Cl)c(F)c(Cl)c2)cn1.
What is the InChIKey of 4-chloro-N-(3,5-dichloro-4-fluorophenyl)-6-methylpyridine-3-carboxamide?
The InChIKey is HJGRKWHRGTZITD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl3FN2O/c1-6-2-9(14)8(5-18-6)13(20)19-7-3-10(15)12(17)11(16)4-7/h2-5H,1H3,(H,19,20).
What are the key properties of 4-chloro-N-(3,5-dichloro-4-fluorophenyl)-6-methylpyridine-3-carboxamide?
4-chloro-N-(3,5-dichloro-4-fluorophenyl)-6-methylpyridine-3-carboxamide has a molecular weight of 333.58 g/mol, XLogP of 4.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3,5-dichloro-4-fluorophenyl)-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 106509693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).