N-(5-chloro-2-pyridinyl)-4-fluoro-3-nitrobenzamide

C12H7ClFN3O3 — CID 43243955

IUPACN-(5-chloro-2-pyridinyl)-4-fluoro-3-nitrobenzamide
SMILESO=C(Nc1ccc(Cl)cn1)c1ccc(F)c([N+](=O)[O-])c1
InChIInChI=1S/C12H7ClFN3O3/c13-8-2-4-11(15-6-8)16-12(18)7-1-3-9(14)10(5-7)17(19)20/h1-6H,(H,15,16,18)
InChIKeyUETXABCAEYBULL-UHFFFAOYSA-N
MW295.66 g/mol
LogP3.03
Rot. Bonds3

About N-(5-chloro-2-pyridinyl)-4-fluoro-3-nitrobenzamide

N-(5-chloro-2-pyridinyl)-4-fluoro-3-nitrobenzamide (PubChem CID 43243955) has the molecular formula C12H7ClFN3O3 and a molecular weight of 295.66 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-4-fluoro-3-nitrobenzamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-4-fluoro-3-nitrobenzamide
PubChem CID43243955
Molecular FormulaC12H7ClFN3O3
Molecular Weight295.66 g/mol
Exact Mass295.02
IUPAC NameN-(5-chloro-2-pyridinyl)-4-fluoro-3-nitrobenzamide
SMILESO=C(Nc1ccc(Cl)cn1)c1ccc(F)c([N+](=O)[O-])c1
InChIInChI=1S/C12H7ClFN3O3/c13-8-2-4-11(15-6-8)16-12(18)7-1-3-9(14)10(5-7)17(19)20/h1-6H,(H,15,16,18)
InChIKeyUETXABCAEYBULL-UHFFFAOYSA-N
XLogP3.03
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.66
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(5-chloro-2-pyridinyl)-3-hydroxy-4-nitrobenzamide
CID 103604547
N-(5-chloro-2-pyridinyl)-3-(methylamino)-4-nitrobenzamide
CID 62683040
N-(3,5-dichlorophenyl)-4-fluoro-3-nitrobenzamide
CID 43215672
N-(2-chloro-5-methyl-3-pyridinyl)-4-fluoro-3-nitrobenzamide
CID 102979705
N-(2-chloro-3-pyridinyl)-4-fluoro-3-nitrobenzamide
CID 60714349
3-chloro-4-nitro-N-(5-nitro-2-pyridinyl)benzamide
CID 11834512
N-(2-chloro-4-methyl-3-pyridinyl)-4-fluoro-3-nitrobenzamide
CID 65489283
4-fluoro-3-nitro-N-pyridin-3-ylbenzamide
CID 43215734
4-fluoro-3-nitro-N-sulfanylbenzamide
CID 142948721
2-amino-N-(5-chloro-2-pyridinyl)-4,5-difluorobenzamide
CID 21072646
4-fluoro-N-(4-methyl-1H-pyrazol-5-yl)-3-nitrobenzamide
CID 112691335
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 4-(dimethylamino)-3-nitrobenzoate
CID 7261686

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-4-fluoro-3-nitrobenzamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-4-fluoro-3-nitrobenzamide (CID 43243955) is N-(5-chloro-2-pyridinyl)-4-fluoro-3-nitrobenzamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-4-fluoro-3-nitrobenzamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-4-fluoro-3-nitrobenzamide is O=C(Nc1ccc(Cl)cn1)c1ccc(F)c([N+](=O)[O-])c1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-4-fluoro-3-nitrobenzamide?
The InChIKey is UETXABCAEYBULL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClFN3O3/c13-8-2-4-11(15-6-8)16-12(18)7-1-3-9(14)10(5-7)17(19)20/h1-6H,(H,15,16,18).
What are the key properties of N-(5-chloro-2-pyridinyl)-4-fluoro-3-nitrobenzamide?
N-(5-chloro-2-pyridinyl)-4-fluoro-3-nitrobenzamide has a molecular weight of 295.66 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-4-fluoro-3-nitrobenzamide is sourced from PubChem (CID 43243955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).