N-(6-chloro-2-methyl-3-pyridinyl)-3-fluoro-5-nitrobenzamide

C13H9ClFN3O3 — CID 107301004

IUPACN-(6-chloro-2-methyl-3-pyridinyl)-3-fluoro-5-nitrobenzamide
SMILESCc1nc(Cl)ccc1NC(=O)c1cc(F)cc([N+](=O)[O-])c1
InChIInChI=1S/C13H9ClFN3O3/c1-7-11(2-3-12(14)16-7)17-13(19)8-4-9(15)6-10(5-8)18(20)21/h2-6H,1H3,(H,17,19)
InChIKeyBPUQXKQBFVVDIT-UHFFFAOYSA-N
MW309.68 g/mol
LogP3.34
Rot. Bonds3

About N-(6-chloro-2-methyl-3-pyridinyl)-3-fluoro-5-nitrobenzamide

N-(6-chloro-2-methyl-3-pyridinyl)-3-fluoro-5-nitrobenzamide (PubChem CID 107301004) has the molecular formula C13H9ClFN3O3 and a molecular weight of 309.68 g/mol. Its IUPAC name is N-(6-chloro-2-methyl-3-pyridinyl)-3-fluoro-5-nitrobenzamide.

Molecular Properties

Compound NameN-(6-chloro-2-methyl-3-pyridinyl)-3-fluoro-5-nitrobenzamide
PubChem CID107301004
Molecular FormulaC13H9ClFN3O3
Molecular Weight309.68 g/mol
Exact Mass309.03
IUPAC NameN-(6-chloro-2-methyl-3-pyridinyl)-3-fluoro-5-nitrobenzamide
SMILESCc1nc(Cl)ccc1NC(=O)c1cc(F)cc([N+](=O)[O-])c1
InChIInChI=1S/C13H9ClFN3O3/c1-7-11(2-3-12(14)16-7)17-13(19)8-4-9(15)6-10(5-8)18(20)21/h2-6H,1H3,(H,17,19)
InChIKeyBPUQXKQBFVVDIT-UHFFFAOYSA-N
XLogP3.34
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.68
LogP ≤ 53.34
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

N-(6-chloro-2-methyl-3-pyridinyl)-3,4,5-trifluorobenzamide
CID 107301415
N-(6-chloro-2-methyl-3-pyridinyl)-4-fluoro-2-nitrobenzamide
CID 107301433
N-(5-bromo-6-methyl-2-pyridinyl)-3-fluoro-5-nitrobenzamide
CID 79118710
N-(2-bromo-3-chlorophenyl)-3-fluoro-5-nitrobenzamide
CID 103479948
N-(5-bromo-2-chloro-3-pyridinyl)-3-fluoro-5-nitrobenzamide
CID 102979345
N-[4-[4-[(3,5-dinitrobenzoyl)amino]-3-methylphenyl]-2-methylphenyl]-3,5-dinitrobenzamide
CID 3882039
N-(4-acetyl-1,3-thiazol-2-yl)-3-fluoro-5-nitrobenzamide
CID 78953289
4-tert-butyl-N-(6-chloro-2-methyl-3-pyridinyl)benzamide
CID 107301135
3,5-dinitro-N-(2,3,4-trifluorophenyl)benzamide
CID 9095279
N-(6-chloro-2-methyl-3-pyridinyl)-6-fluoropyridine-2-carboxamide
CID 107301196
5-chloro-N-(6-chloro-2-methyl-3-pyridinyl)pyrazine-2-carboxamide
CID 107329768
N-(6-chloro-2-methyl-3-pyridinyl)-4-ethylbenzamide
CID 107301269

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-2-methyl-3-pyridinyl)-3-fluoro-5-nitrobenzamide?
The IUPAC name of N-(6-chloro-2-methyl-3-pyridinyl)-3-fluoro-5-nitrobenzamide (CID 107301004) is N-(6-chloro-2-methyl-3-pyridinyl)-3-fluoro-5-nitrobenzamide.
What is the SMILES notation for N-(6-chloro-2-methyl-3-pyridinyl)-3-fluoro-5-nitrobenzamide?
The canonical SMILES for N-(6-chloro-2-methyl-3-pyridinyl)-3-fluoro-5-nitrobenzamide is Cc1nc(Cl)ccc1NC(=O)c1cc(F)cc([N+](=O)[O-])c1.
What is the InChIKey of N-(6-chloro-2-methyl-3-pyridinyl)-3-fluoro-5-nitrobenzamide?
The InChIKey is BPUQXKQBFVVDIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFN3O3/c1-7-11(2-3-12(14)16-7)17-13(19)8-4-9(15)6-10(5-8)18(20)21/h2-6H,1H3,(H,17,19).
What are the key properties of N-(6-chloro-2-methyl-3-pyridinyl)-3-fluoro-5-nitrobenzamide?
N-(6-chloro-2-methyl-3-pyridinyl)-3-fluoro-5-nitrobenzamide has a molecular weight of 309.68 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-2-methyl-3-pyridinyl)-3-fluoro-5-nitrobenzamide is sourced from PubChem (CID 107301004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).