N-(3-bromo-4-chlorophenyl)-2,3-difluoropyridine-4-carboxamide

C12H6BrClF2N2O — CID 105381393

IUPACN-(3-bromo-4-chlorophenyl)-2,3-difluoropyridine-4-carboxamide
SMILESO=C(Nc1ccc(Cl)c(Br)c1)c1ccnc(F)c1F
InChIInChI=1S/C12H6BrClF2N2O/c13-8-5-6(1-2-9(8)14)18-12(19)7-3-4-17-11(16)10(7)15/h1-5H,(H,18,19)
InChIKeySLFZNTDNKXAJDG-UHFFFAOYSA-N
MW347.55 g/mol
LogP4.03
Rot. Bonds2

About N-(3-bromo-4-chlorophenyl)-2,3-difluoropyridine-4-carboxamide

N-(3-bromo-4-chlorophenyl)-2,3-difluoropyridine-4-carboxamide (PubChem CID 105381393) has the molecular formula C12H6BrClF2N2O and a molecular weight of 347.55 g/mol. Its IUPAC name is N-(3-bromo-4-chlorophenyl)-2,3-difluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3-bromo-4-chlorophenyl)-2,3-difluoropyridine-4-carboxamide
PubChem CID105381393
Molecular FormulaC12H6BrClF2N2O
Molecular Weight347.55 g/mol
Exact Mass345.93
IUPAC NameN-(3-bromo-4-chlorophenyl)-2,3-difluoropyridine-4-carboxamide
SMILESO=C(Nc1ccc(Cl)c(Br)c1)c1ccnc(F)c1F
InChIInChI=1S/C12H6BrClF2N2O/c13-8-5-6(1-2-9(8)14)18-12(19)7-3-4-17-11(16)10(7)15/h1-5H,(H,18,19)
InChIKeySLFZNTDNKXAJDG-UHFFFAOYSA-N
XLogP4.03
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.55
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(3-bromo-4-chlorophenyl)-3-fluoropyridine-4-carboxamide
CID 105386900
N-(4-chlorophenyl)-2,3-difluoropyridine-4-carboxamide
CID 105380159
2,3-difluoro-N-quinoxalin-6-ylpyridine-4-carboxamide
CID 105380445
N-(2-bromo-5-chloro-4-methylphenyl)-2,3-difluoropyridine-4-carboxamide
CID 105381565
N-(3-bromo-4-chlorophenyl)-2-chloro-5-fluoropyridine-3-carboxamide
CID 114034261
2,3-difluoro-N-(4-methylphenyl)pyridine-4-carboxamide
CID 105380183
N-[4-(carbamoylamino)phenyl]-2,3-difluoropyridine-4-carboxamide
CID 105380731
3-amino-N-(3-bromo-4-chlorophenyl)pyridine-4-carboxamide
CID 105070699
N-(3-bromo-4-chlorophenyl)-5-fluoropyridine-2-carboxamide
CID 113411937
2-amino-N-(3-bromo-4-fluorophenyl)-3-fluoropyridine-4-carboxamide
CID 105387341
2,3-difluoro-N-(5-methyl-3-pyridinyl)pyridine-4-carboxamide
CID 107470488
N-[4-(difluoromethylsulfanyl)phenyl]-2,3-difluoropyridine-4-carboxamide
CID 105380582

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-chlorophenyl)-2,3-difluoropyridine-4-carboxamide?
The IUPAC name of N-(3-bromo-4-chlorophenyl)-2,3-difluoropyridine-4-carboxamide (CID 105381393) is N-(3-bromo-4-chlorophenyl)-2,3-difluoropyridine-4-carboxamide.
What is the SMILES notation for N-(3-bromo-4-chlorophenyl)-2,3-difluoropyridine-4-carboxamide?
The canonical SMILES for N-(3-bromo-4-chlorophenyl)-2,3-difluoropyridine-4-carboxamide is O=C(Nc1ccc(Cl)c(Br)c1)c1ccnc(F)c1F.
What is the InChIKey of N-(3-bromo-4-chlorophenyl)-2,3-difluoropyridine-4-carboxamide?
The InChIKey is SLFZNTDNKXAJDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6BrClF2N2O/c13-8-5-6(1-2-9(8)14)18-12(19)7-3-4-17-11(16)10(7)15/h1-5H,(H,18,19).
What are the key properties of N-(3-bromo-4-chlorophenyl)-2,3-difluoropyridine-4-carboxamide?
N-(3-bromo-4-chlorophenyl)-2,3-difluoropyridine-4-carboxamide has a molecular weight of 347.55 g/mol, XLogP of 4.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-chlorophenyl)-2,3-difluoropyridine-4-carboxamide is sourced from PubChem (CID 105381393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).