N-[4-(difluoromethoxy)phenyl]-2,3-difluoropyridine-4-carboxamide

C13H8F4N2O2 — CID 105380332

IUPACN-[4-(difluoromethoxy)phenyl]-2,3-difluoropyridine-4-carboxamide
SMILESO=C(Nc1ccc(OC(F)F)cc1)c1ccnc(F)c1F
InChIInChI=1S/C13H8F4N2O2/c14-10-9(5-6-18-11(10)15)12(20)19-7-1-3-8(4-2-7)21-13(16)17/h1-6,13H,(H,19,20)
InChIKeyNDFXEZKVUAHLIF-UHFFFAOYSA-N
MW300.21 g/mol
LogP3.21
Rot. Bonds4

About N-[4-(difluoromethoxy)phenyl]-2,3-difluoropyridine-4-carboxamide

N-[4-(difluoromethoxy)phenyl]-2,3-difluoropyridine-4-carboxamide (PubChem CID 105380332) has the molecular formula C13H8F4N2O2 and a molecular weight of 300.21 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)phenyl]-2,3-difluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(difluoromethoxy)phenyl]-2,3-difluoropyridine-4-carboxamide
PubChem CID105380332
Molecular FormulaC13H8F4N2O2
Molecular Weight300.21 g/mol
Exact Mass300.05
IUPAC NameN-[4-(difluoromethoxy)phenyl]-2,3-difluoropyridine-4-carboxamide
SMILESO=C(Nc1ccc(OC(F)F)cc1)c1ccnc(F)c1F
InChIInChI=1S/C13H8F4N2O2/c14-10-9(5-6-18-11(10)15)12(20)19-7-1-3-8(4-2-7)21-13(16)17/h1-6,13H,(H,19,20)
InChIKeyNDFXEZKVUAHLIF-UHFFFAOYSA-N
XLogP3.21
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.21
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(carbamoylamino)phenyl]-2,3-difluoropyridine-4-carboxamide
CID 105380731
N-[4-(difluoromethylsulfanyl)phenyl]-2,3-difluoropyridine-4-carboxamide
CID 105380582
2,3-difluoro-N-(4-methylsulfonylphenyl)pyridine-4-carboxamide
CID 105380278
2,3-difluoro-N-quinoxalin-6-ylpyridine-4-carboxamide
CID 105380445
2-bromo-N-[4-(difluoromethoxy)phenyl]pyridine-4-carboxamide
CID 103751880
N-[4-(difluoromethoxy)phenyl]quinoline-5-carboxamide
CID 17433698
2-bromo-N-[4-(difluoromethoxy)phenyl]-4-fluorobenzamide
CID 9273476
1,3-bis[4-(difluoromethoxy)phenyl]urea
CID 11537485
N-[4-(difluoromethoxy)phenyl]-2-iodobenzamide
CID 7941252
N-(3-bromo-4-chlorophenyl)-2,3-difluoropyridine-4-carboxamide
CID 105381393
N-(3-ethoxyphenyl)-2,3-difluoropyridine-4-carboxamide
CID 105380453
2-chloro-N-[4-(difluoromethoxy)phenyl]-5-hydroxybenzamide
CID 106501367

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethoxy)phenyl]-2,3-difluoropyridine-4-carboxamide?
The IUPAC name of N-[4-(difluoromethoxy)phenyl]-2,3-difluoropyridine-4-carboxamide (CID 105380332) is N-[4-(difluoromethoxy)phenyl]-2,3-difluoropyridine-4-carboxamide.
What is the SMILES notation for N-[4-(difluoromethoxy)phenyl]-2,3-difluoropyridine-4-carboxamide?
The canonical SMILES for N-[4-(difluoromethoxy)phenyl]-2,3-difluoropyridine-4-carboxamide is O=C(Nc1ccc(OC(F)F)cc1)c1ccnc(F)c1F.
What is the InChIKey of N-[4-(difluoromethoxy)phenyl]-2,3-difluoropyridine-4-carboxamide?
The InChIKey is NDFXEZKVUAHLIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F4N2O2/c14-10-9(5-6-18-11(10)15)12(20)19-7-1-3-8(4-2-7)21-13(16)17/h1-6,13H,(H,19,20).
What are the key properties of N-[4-(difluoromethoxy)phenyl]-2,3-difluoropyridine-4-carboxamide?
N-[4-(difluoromethoxy)phenyl]-2,3-difluoropyridine-4-carboxamide has a molecular weight of 300.21 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethoxy)phenyl]-2,3-difluoropyridine-4-carboxamide is sourced from PubChem (CID 105380332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).