3-chloro-6-ethoxy-N-[2-iodo-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide

C15H11ClF3IN2O2 — CID 71685422

IUPAC3-chloro-6-ethoxy-N-[2-iodo-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide
SMILESCCOc1ccc(Cl)c(C(=O)Nc2cc(C(F)(F)F)ccc2I)n1
InChIInChI=1S/C15H11ClF3IN2O2/c1-2-24-12-6-4-9(16)13(22-12)14(23)21-11-7-8(15(17,18)19)3-5-10(11)20/h3-7H,2H2,1H3,(H,21,23)
InChIKeyFHIRYPXNOZLLMP-UHFFFAOYSA-N
MW470.62 g/mol
LogP5.01
Rot. Bonds4

About 3-chloro-6-ethoxy-N-[2-iodo-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide

3-chloro-6-ethoxy-N-[2-iodo-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide (PubChem CID 71685422) has the molecular formula C15H11ClF3IN2O2 and a molecular weight of 470.62 g/mol. Its IUPAC name is 3-chloro-6-ethoxy-N-[2-iodo-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-6-ethoxy-N-[2-iodo-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide
PubChem CID71685422
Molecular FormulaC15H11ClF3IN2O2
Molecular Weight470.62 g/mol
Exact Mass469.95
IUPAC Name3-chloro-6-ethoxy-N-[2-iodo-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide
SMILESCCOc1ccc(Cl)c(C(=O)Nc2cc(C(F)(F)F)ccc2I)n1
InChIInChI=1S/C15H11ClF3IN2O2/c1-2-24-12-6-4-9(16)13(22-12)14(23)21-11-7-8(15(17,18)19)3-5-10(11)20/h3-7H,2H2,1H3,(H,21,23)
InChIKeyFHIRYPXNOZLLMP-UHFFFAOYSA-N
XLogP5.01
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.62
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromophenyl)-3-chloro-6-ethoxypyridine-2-carboxamide
CID 47390539
3-chloro-6-ethoxy-N-methylpyridine-2-carboxamide
CID 47377989
N-[2-chloro-5-(trifluoromethyl)phenyl]-7-ethoxy-2-oxochromene-3-carboxamide
CID 5262644
3-chloro-6-ethoxy-N-(6-methyl-2-pyridinyl)pyridine-2-carboxamide
CID 47378058
N-[2-bromo-5-(trifluoromethyl)phenyl]-4-ethoxybenzamide
CID 1235281
tert-butyl N-[2-iodo-5-(trifluoromethyl)phenyl]carbamate
CID 121016303
3-chloro-6-ethoxy-N-(5-methyl-2-phenylpyrazol-3-yl)pyridine-2-carboxamide
CID 167792754
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methyl-6-(propylamino)pyrimidine-4-carboxamide
CID 109360128
methyl 4-[[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl]benzoate
CID 54787072
N-[2-chloro-5-(trifluoromethyl)phenyl]-5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 17254460
5-bromo-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-propoxybenzamide
CID 54787114
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-propylphenoxy)acetamide
CID 19172179

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-ethoxy-N-[2-iodo-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
The IUPAC name of 3-chloro-6-ethoxy-N-[2-iodo-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide (CID 71685422) is 3-chloro-6-ethoxy-N-[2-iodo-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 3-chloro-6-ethoxy-N-[2-iodo-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
The canonical SMILES for 3-chloro-6-ethoxy-N-[2-iodo-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide is CCOc1ccc(Cl)c(C(=O)Nc2cc(C(F)(F)F)ccc2I)n1.
What is the InChIKey of 3-chloro-6-ethoxy-N-[2-iodo-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
The InChIKey is FHIRYPXNOZLLMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF3IN2O2/c1-2-24-12-6-4-9(16)13(22-12)14(23)21-11-7-8(15(17,18)19)3-5-10(11)20/h3-7H,2H2,1H3,(H,21,23).
What are the key properties of 3-chloro-6-ethoxy-N-[2-iodo-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
3-chloro-6-ethoxy-N-[2-iodo-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide has a molecular weight of 470.62 g/mol, XLogP of 5.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-ethoxy-N-[2-iodo-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 71685422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).