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

C12H6BrClFN3O3 — CID 64857439

IUPACN-(2-bromo-4-fluorophenyl)-2-chloro-3-nitropyridine-4-carboxamide
SMILESO=C(Nc1ccc(F)cc1Br)c1ccnc(Cl)c1[N+](=O)[O-]
InChIInChI=1S/C12H6BrClFN3O3/c13-8-5-6(15)1-2-9(8)17-12(19)7-3-4-16-11(14)10(7)18(20)21/h1-5H,(H,17,19)
InChIKeyQYFIVSHCCZWEJD-UHFFFAOYSA-N
MW374.55 g/mol
LogP3.80
Rot. Bonds3

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

N-(2-bromo-4-fluorophenyl)-2-chloro-3-nitropyridine-4-carboxamide (PubChem CID 64857439) has the molecular formula C12H6BrClFN3O3 and a molecular weight of 374.55 g/mol. Its IUPAC name is N-(2-bromo-4-fluorophenyl)-2-chloro-3-nitropyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-4-fluorophenyl)-2-chloro-3-nitropyridine-4-carboxamide
PubChem CID64857439
Molecular FormulaC12H6BrClFN3O3
Molecular Weight374.55 g/mol
Exact Mass372.93
IUPAC NameN-(2-bromo-4-fluorophenyl)-2-chloro-3-nitropyridine-4-carboxamide
SMILESO=C(Nc1ccc(F)cc1Br)c1ccnc(Cl)c1[N+](=O)[O-]
InChIInChI=1S/C12H6BrClFN3O3/c13-8-5-6(15)1-2-9(8)17-12(19)7-3-4-16-11(14)10(7)18(20)21/h1-5H,(H,17,19)
InChIKeyQYFIVSHCCZWEJD-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-(2-chloro-4-fluorophenyl)-3-nitropyridine-4-carboxamide
CID 64856467
2-chloro-N-(4-chloro-2-fluorophenyl)-3-nitropyridine-4-carboxamide
CID 64856850
2-chloro-N-(2-methoxyphenyl)-3-nitropyridine-4-carboxamide
CID 64856454
N-(2-bromo-5-fluorophenyl)-3-chloro-2-nitrobenzamide
CID 103753378
5-amino-N-(2-bromo-4-fluorophenyl)-2-nitrobenzamide
CID 62156280
N-(2-bromo-4-fluorophenyl)-3-chloro-4-nitrobenzamide
CID 82778464
2-chloro-N-(4-methylsulfanylphenyl)-3-nitropyridine-4-carboxamide
CID 64856476
2-chloro-3-nitro-N-pyridazin-3-ylpyridine-4-carboxamide
CID 115683157
N-(2-bromo-4-fluorophenyl)-2-(ethylamino)-3-fluoropyridine-4-carboxamide
CID 105384647
2-chloro-N',N'-dimethyl-3-nitropyridine-4-carbohydrazide
CID 83014753
2-bromo-N-(5-chloro-2-nitrophenyl)-4-fluorobenzamide
CID 60955297
N-(2-bromo-4-fluorophenyl)-5-methyl-2-(methylamino)benzamide
CID 62509154

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-fluorophenyl)-2-chloro-3-nitropyridine-4-carboxamide?
The IUPAC name of N-(2-bromo-4-fluorophenyl)-2-chloro-3-nitropyridine-4-carboxamide (CID 64857439) is N-(2-bromo-4-fluorophenyl)-2-chloro-3-nitropyridine-4-carboxamide.
What is the SMILES notation for N-(2-bromo-4-fluorophenyl)-2-chloro-3-nitropyridine-4-carboxamide?
The canonical SMILES for N-(2-bromo-4-fluorophenyl)-2-chloro-3-nitropyridine-4-carboxamide is O=C(Nc1ccc(F)cc1Br)c1ccnc(Cl)c1[N+](=O)[O-].
What is the InChIKey of N-(2-bromo-4-fluorophenyl)-2-chloro-3-nitropyridine-4-carboxamide?
The InChIKey is QYFIVSHCCZWEJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6BrClFN3O3/c13-8-5-6(15)1-2-9(8)17-12(19)7-3-4-16-11(14)10(7)18(20)21/h1-5H,(H,17,19).
What are the key properties of N-(2-bromo-4-fluorophenyl)-2-chloro-3-nitropyridine-4-carboxamide?
N-(2-bromo-4-fluorophenyl)-2-chloro-3-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-(2-bromo-4-fluorophenyl)-2-chloro-3-nitropyridine-4-carboxamide is sourced from PubChem (CID 64857439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).