N-[4-chloro-3-(triiodomethoxy)phenyl]pyridine-2-carboxamide

C13H8ClI3N2O2 — CID 166998512

IUPACN-[4-chloro-3-(triiodomethoxy)phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1ccc(Cl)c(OC(I)(I)I)c1)c1ccccn1
InChIInChI=1S/C13H8ClI3N2O2/c14-9-5-4-8(7-11(9)21-13(15,16)17)19-12(20)10-3-1-2-6-18-10/h1-7H,(H,19,20)
InChIKeyJLANKABXEVEQLC-UHFFFAOYSA-N
MW640.38 g/mol
LogP5.28
Rot. Bonds4

About N-[4-chloro-3-(triiodomethoxy)phenyl]pyridine-2-carboxamide

N-[4-chloro-3-(triiodomethoxy)phenyl]pyridine-2-carboxamide (PubChem CID 166998512) has the molecular formula C13H8ClI3N2O2 and a molecular weight of 640.38 g/mol. Its IUPAC name is N-[4-chloro-3-(triiodomethoxy)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-3-(triiodomethoxy)phenyl]pyridine-2-carboxamide
PubChem CID166998512
Molecular FormulaC13H8ClI3N2O2
Molecular Weight640.38 g/mol
Exact Mass639.74
IUPAC NameN-[4-chloro-3-(triiodomethoxy)phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1ccc(Cl)c(OC(I)(I)I)c1)c1ccccn1
InChIInChI=1S/C13H8ClI3N2O2/c14-9-5-4-8(7-11(9)21-13(15,16)17)19-12(20)10-3-1-2-6-18-10/h1-7H,(H,19,20)
InChIKeyJLANKABXEVEQLC-UHFFFAOYSA-N
XLogP5.28
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500640.38
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chloro-3-hydroxyphenyl)pyridine-2-carboxamide;N-[4-chloro-3-(tritritiomethoxy)phenyl]pyridine-2-carboxamide
CID 165084064
N-[3-chloro-4-(difluoromethoxy)phenyl]pyridine-2-carboxamide
CID 2579010
N-(3,4-diethoxyphenyl)pyridine-2-carboxamide
CID 17411866
N-(3,5-dichloro-4-hydroxyphenyl)pyridine-2-carboxamide
CID 82884387
N-(3,4-difluorophenyl)pyridine-2-carboxamide
CID 2571943
4-(pyridine-2-carbonylamino)benzoic acid
CID 16770258
N-[3-methoxy-4-(phenylsulfamoyl)phenyl]pyridine-2-carboxamide
CID 45110912
N-(3-amino-4-methylphenyl)pyridine-2-carboxamide
CID 24707912
N-(4-methoxyphenyl)pyridine-2-carboxamide
CID 821516
2-methoxy-5-(pyridine-2-carbonylamino)benzenesulfonyl chloride
CID 43093324
N-(3-cyclopentyloxy-4-methoxyphenyl)pyridine-2-carboxamide
CID 18695632
N-(3-chloro-4-methoxyphenyl)-2-pyridin-2-yl-1,3-thiazole-4-carboxamide
CID 48846766

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(triiodomethoxy)phenyl]pyridine-2-carboxamide?
The IUPAC name of N-[4-chloro-3-(triiodomethoxy)phenyl]pyridine-2-carboxamide (CID 166998512) is N-[4-chloro-3-(triiodomethoxy)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[4-chloro-3-(triiodomethoxy)phenyl]pyridine-2-carboxamide?
The canonical SMILES for N-[4-chloro-3-(triiodomethoxy)phenyl]pyridine-2-carboxamide is O=C(Nc1ccc(Cl)c(OC(I)(I)I)c1)c1ccccn1.
What is the InChIKey of N-[4-chloro-3-(triiodomethoxy)phenyl]pyridine-2-carboxamide?
The InChIKey is JLANKABXEVEQLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClI3N2O2/c14-9-5-4-8(7-11(9)21-13(15,16)17)19-12(20)10-3-1-2-6-18-10/h1-7H,(H,19,20).
What are the key properties of N-[4-chloro-3-(triiodomethoxy)phenyl]pyridine-2-carboxamide?
N-[4-chloro-3-(triiodomethoxy)phenyl]pyridine-2-carboxamide has a molecular weight of 640.38 g/mol, XLogP of 5.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(triiodomethoxy)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 166998512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).