N-(3-bromo-4-fluorophenyl)-2-chloro-5-nitropyridine-4-carboxamide

C12H6BrClFN3O3 — CID 103734087

IUPACN-(3-bromo-4-fluorophenyl)-2-chloro-5-nitropyridine-4-carboxamide
SMILESO=C(Nc1ccc(F)c(Br)c1)c1cc(Cl)ncc1[N+](=O)[O-]
InChIInChI=1S/C12H6BrClFN3O3/c13-8-3-6(1-2-9(8)15)17-12(19)7-4-11(14)16-5-10(7)18(20)21/h1-5H,(H,17,19)
InChIKeyZJVOQCDTLZKMNZ-UHFFFAOYSA-N
MW374.55 g/mol
LogP3.80
Rot. Bonds3

About N-(3-bromo-4-fluorophenyl)-2-chloro-5-nitropyridine-4-carboxamide

N-(3-bromo-4-fluorophenyl)-2-chloro-5-nitropyridine-4-carboxamide (PubChem CID 103734087) has the molecular formula C12H6BrClFN3O3 and a molecular weight of 374.55 g/mol. Its IUPAC name is N-(3-bromo-4-fluorophenyl)-2-chloro-5-nitropyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3-bromo-4-fluorophenyl)-2-chloro-5-nitropyridine-4-carboxamide
PubChem CID103734087
Molecular FormulaC12H6BrClFN3O3
Molecular Weight374.55 g/mol
Exact Mass372.93
IUPAC NameN-(3-bromo-4-fluorophenyl)-2-chloro-5-nitropyridine-4-carboxamide
SMILESO=C(Nc1ccc(F)c(Br)c1)c1cc(Cl)ncc1[N+](=O)[O-]
InChIInChI=1S/C12H6BrClFN3O3/c13-8-3-6(1-2-9(8)15)17-12(19)7-4-11(14)16-5-10(7)18(20)21/h1-5H,(H,17,19)
InChIKeyZJVOQCDTLZKMNZ-UHFFFAOYSA-N
XLogP3.80
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.55
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(3-chloro-4-fluorophenyl)-5-nitropyridine-4-carboxamide
CID 103730763
2,5-dichloro-N-(3-fluoro-4-nitrophenyl)pyridine-4-carboxamide
CID 114918756
2-chloro-5-nitro-N-pyridin-4-ylpyridine-4-carboxamide
CID 103730811
2-chloro-N-(4-cyanophenyl)-5-nitropyridine-4-carboxamide
CID 103732229
5-amino-N-(3-bromo-4-fluorophenyl)-2-nitrobenzamide
CID 104781598
2-chloro-N-(2,3-difluorophenyl)-5-nitropyridine-4-carboxamide
CID 103733313
2-bromo-N-(3-bromo-4-fluorophenyl)-3-nitrobenzamide
CID 104776958
5-chloro-N-(3-fluoro-4-nitrophenyl)pyrazine-2-carboxamide
CID 107372132
5-chloro-N-(3,4-difluorophenyl)-2-nitrobenzamide
CID 3462912
2-bromo-4-chloro-N-(4-chloro-3-nitrophenyl)benzamide
CID 103763477
2-chloro-5-nitro-N-(1-propan-2-ylpyrazol-4-yl)pyridine-4-carboxamide
CID 103730947
2-chloro-4,5-difluoro-N-(4-fluoro-3-nitrophenyl)benzamide
CID 26696948

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-fluorophenyl)-2-chloro-5-nitropyridine-4-carboxamide?
The IUPAC name of N-(3-bromo-4-fluorophenyl)-2-chloro-5-nitropyridine-4-carboxamide (CID 103734087) is N-(3-bromo-4-fluorophenyl)-2-chloro-5-nitropyridine-4-carboxamide.
What is the SMILES notation for N-(3-bromo-4-fluorophenyl)-2-chloro-5-nitropyridine-4-carboxamide?
The canonical SMILES for N-(3-bromo-4-fluorophenyl)-2-chloro-5-nitropyridine-4-carboxamide is O=C(Nc1ccc(F)c(Br)c1)c1cc(Cl)ncc1[N+](=O)[O-].
What is the InChIKey of N-(3-bromo-4-fluorophenyl)-2-chloro-5-nitropyridine-4-carboxamide?
The InChIKey is ZJVOQCDTLZKMNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6BrClFN3O3/c13-8-3-6(1-2-9(8)15)17-12(19)7-4-11(14)16-5-10(7)18(20)21/h1-5H,(H,17,19).
What are the key properties of N-(3-bromo-4-fluorophenyl)-2-chloro-5-nitropyridine-4-carboxamide?
N-(3-bromo-4-fluorophenyl)-2-chloro-5-nitropyridine-4-carboxamide has a molecular weight of 374.55 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-fluorophenyl)-2-chloro-5-nitropyridine-4-carboxamide is sourced from PubChem (CID 103734087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).