N-(3-bromo-4-chlorophenyl)-2-chloro-5-fluoropyridine-3-carboxamide

C12H6BrCl2FN2O — CID 114034261

IUPACN-(3-bromo-4-chlorophenyl)-2-chloro-5-fluoropyridine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)c(Br)c1)c1cc(F)cnc1Cl
InChIInChI=1S/C12H6BrCl2FN2O/c13-9-4-7(1-2-10(9)14)18-12(19)8-3-6(16)5-17-11(8)15/h1-5H,(H,18,19)
InChIKeySKSBRUQYJMUUQV-UHFFFAOYSA-N
MW364.00 g/mol
LogP4.54
Rot. Bonds2

About N-(3-bromo-4-chlorophenyl)-2-chloro-5-fluoropyridine-3-carboxamide

N-(3-bromo-4-chlorophenyl)-2-chloro-5-fluoropyridine-3-carboxamide (PubChem CID 114034261) has the molecular formula C12H6BrCl2FN2O and a molecular weight of 364.00 g/mol. Its IUPAC name is N-(3-bromo-4-chlorophenyl)-2-chloro-5-fluoropyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-bromo-4-chlorophenyl)-2-chloro-5-fluoropyridine-3-carboxamide
PubChem CID114034261
Molecular FormulaC12H6BrCl2FN2O
Molecular Weight364.00 g/mol
Exact Mass361.90
IUPAC NameN-(3-bromo-4-chlorophenyl)-2-chloro-5-fluoropyridine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)c(Br)c1)c1cc(F)cnc1Cl
InChIInChI=1S/C12H6BrCl2FN2O/c13-9-4-7(1-2-10(9)14)18-12(19)8-3-6(16)5-17-11(8)15/h1-5H,(H,18,19)
InChIKeySKSBRUQYJMUUQV-UHFFFAOYSA-N
XLogP4.54
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.00
LogP ≤ 54.54
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

N-(4-bromophenyl)-2-chloro-5-fluoropyridine-3-carboxamide
CID 87757285
2-chloro-N-(3-chloro-4-hydroxyphenyl)-5-fluoropyridine-3-carboxamide
CID 114034323
N-(3-bromo-4-chlorophenyl)-5-fluoropyridine-2-carboxamide
CID 113411937
N-(4-tert-butylphenyl)-2-chloro-5-fluoropyridine-3-carboxamide
CID 87757101
2-chloro-5-fluoro-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 87757105
2-chloro-N-(4-ethylphenyl)-5-fluoropyridine-3-carboxamide
CID 103891458
2-chloro-N-(4-cyanophenyl)-5-fluoropyridine-3-carboxamide
CID 103893052
N-(3-bromo-4-chlorophenyl)-2,3-difluoropyridine-4-carboxamide
CID 105381393
2-chloro-5-fluoro-N-(5-fluoro-2-pyridinyl)pyridine-3-carboxamide
CID 103893264
2-chloro-5-fluoro-N-[3-(hydroxymethyl)phenyl]pyridine-3-carboxamide
CID 114034177
2-chloro-N-[6-(dimethylamino)-3-pyridinyl]-5-fluoropyridine-3-carboxamide
CID 103893174
2-chloro-N-(3-ethynylphenyl)-5-fluoropyridine-3-carboxamide
CID 113347095

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-chlorophenyl)-2-chloro-5-fluoropyridine-3-carboxamide?
The IUPAC name of N-(3-bromo-4-chlorophenyl)-2-chloro-5-fluoropyridine-3-carboxamide (CID 114034261) is N-(3-bromo-4-chlorophenyl)-2-chloro-5-fluoropyridine-3-carboxamide.
What is the SMILES notation for N-(3-bromo-4-chlorophenyl)-2-chloro-5-fluoropyridine-3-carboxamide?
The canonical SMILES for N-(3-bromo-4-chlorophenyl)-2-chloro-5-fluoropyridine-3-carboxamide is O=C(Nc1ccc(Cl)c(Br)c1)c1cc(F)cnc1Cl.
What is the InChIKey of N-(3-bromo-4-chlorophenyl)-2-chloro-5-fluoropyridine-3-carboxamide?
The InChIKey is SKSBRUQYJMUUQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6BrCl2FN2O/c13-9-4-7(1-2-10(9)14)18-12(19)8-3-6(16)5-17-11(8)15/h1-5H,(H,18,19).
What are the key properties of N-(3-bromo-4-chlorophenyl)-2-chloro-5-fluoropyridine-3-carboxamide?
N-(3-bromo-4-chlorophenyl)-2-chloro-5-fluoropyridine-3-carboxamide has a molecular weight of 364.00 g/mol, XLogP of 4.54, 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-chloro-5-fluoropyridine-3-carboxamide is sourced from PubChem (CID 114034261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).