N-(4-chloro-2-iodophenyl)-2,3-difluoropyridine-4-carboxamide

C12H6ClF2IN2O — CID 107470498

IUPACN-(4-chloro-2-iodophenyl)-2,3-difluoropyridine-4-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1I)c1ccnc(F)c1F
InChIInChI=1S/C12H6ClF2IN2O/c13-6-1-2-9(8(16)5-6)18-12(19)7-3-4-17-11(15)10(7)14/h1-5H,(H,18,19)
InChIKeyHMWVYGIUSLNVSW-UHFFFAOYSA-N
MW394.55 g/mol
LogP3.87
Rot. Bonds2

About N-(4-chloro-2-iodophenyl)-2,3-difluoropyridine-4-carboxamide

N-(4-chloro-2-iodophenyl)-2,3-difluoropyridine-4-carboxamide (PubChem CID 107470498) has the molecular formula C12H6ClF2IN2O and a molecular weight of 394.55 g/mol. Its IUPAC name is N-(4-chloro-2-iodophenyl)-2,3-difluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-iodophenyl)-2,3-difluoropyridine-4-carboxamide
PubChem CID107470498
Molecular FormulaC12H6ClF2IN2O
Molecular Weight394.55 g/mol
Exact Mass393.92
IUPAC NameN-(4-chloro-2-iodophenyl)-2,3-difluoropyridine-4-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1I)c1ccnc(F)c1F
InChIInChI=1S/C12H6ClF2IN2O/c13-6-1-2-9(8(16)5-6)18-12(19)7-3-4-17-11(15)10(7)14/h1-5H,(H,18,19)
InChIKeyHMWVYGIUSLNVSW-UHFFFAOYSA-N
XLogP3.87
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.55
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-(4-chloro-2-iodophenyl)-2,3,4-trifluorobenzamide
CID 103766916
N-(5-chloro-2-ethoxyphenyl)-2,3-difluoropyridine-4-carboxamide
CID 105380454
N-(4-chloro-2-iodophenyl)-2,3-difluorobenzamide
CID 103766879
N-(4-chlorophenyl)-2,3-difluoropyridine-4-carboxamide
CID 105380159
2,3-difluoro-N-(2,3,5-trifluorophenyl)pyridine-4-carboxamide
CID 105381162
2-amino-N-(4-chloro-2-fluorophenyl)-3-fluoropyridine-4-carboxamide
CID 105385883
5-chloro-N-(4-chloro-2-iodophenyl)-2-iodobenzamide
CID 114030741
N-(2,5-difluoro-4-methylphenyl)-2,3-difluoropyridine-4-carboxamide
CID 103585463
2-amino-3-fluoro-N-(4-fluoro-2-iodophenyl)pyridine-4-carboxamide
CID 105386874
2,3-difluoro-N-(4-hydroxy-2-methylphenyl)pyridine-4-carboxamide
CID 105381289
N-(4-chloro-2-fluorophenyl)-2-fluoropyridine-3-carboxamide
CID 107362716
N-(2-bromo-5-chloro-4-methylphenyl)-2,3-difluoropyridine-4-carboxamide
CID 105381565

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-iodophenyl)-2,3-difluoropyridine-4-carboxamide?
The IUPAC name of N-(4-chloro-2-iodophenyl)-2,3-difluoropyridine-4-carboxamide (CID 107470498) is N-(4-chloro-2-iodophenyl)-2,3-difluoropyridine-4-carboxamide.
What is the SMILES notation for N-(4-chloro-2-iodophenyl)-2,3-difluoropyridine-4-carboxamide?
The canonical SMILES for N-(4-chloro-2-iodophenyl)-2,3-difluoropyridine-4-carboxamide is O=C(Nc1ccc(Cl)cc1I)c1ccnc(F)c1F.
What is the InChIKey of N-(4-chloro-2-iodophenyl)-2,3-difluoropyridine-4-carboxamide?
The InChIKey is HMWVYGIUSLNVSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6ClF2IN2O/c13-6-1-2-9(8(16)5-6)18-12(19)7-3-4-17-11(15)10(7)14/h1-5H,(H,18,19).
What are the key properties of N-(4-chloro-2-iodophenyl)-2,3-difluoropyridine-4-carboxamide?
N-(4-chloro-2-iodophenyl)-2,3-difluoropyridine-4-carboxamide has a molecular weight of 394.55 g/mol, XLogP of 3.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-iodophenyl)-2,3-difluoropyridine-4-carboxamide is sourced from PubChem (CID 107470498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).