N-(6-chloro-2-methyl-3-pyridinyl)-4-fluoro-2-nitrobenzamide

C13H9ClFN3O3 — CID 107301433

IUPACN-(6-chloro-2-methyl-3-pyridinyl)-4-fluoro-2-nitrobenzamide
SMILESCc1nc(Cl)ccc1NC(=O)c1ccc(F)cc1[N+](=O)[O-]
InChIInChI=1S/C13H9ClFN3O3/c1-7-10(4-5-12(14)16-7)17-13(19)9-3-2-8(15)6-11(9)18(20)21/h2-6H,1H3,(H,17,19)
InChIKeyUCXDGPXRQJEISD-UHFFFAOYSA-N
MW309.68 g/mol
LogP3.34
Rot. Bonds3

About N-(6-chloro-2-methyl-3-pyridinyl)-4-fluoro-2-nitrobenzamide

N-(6-chloro-2-methyl-3-pyridinyl)-4-fluoro-2-nitrobenzamide (PubChem CID 107301433) 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)-4-fluoro-2-nitrobenzamide.

Molecular Properties

Compound NameN-(6-chloro-2-methyl-3-pyridinyl)-4-fluoro-2-nitrobenzamide
PubChem CID107301433
Molecular FormulaC13H9ClFN3O3
Molecular Weight309.68 g/mol
Exact Mass309.03
IUPAC NameN-(6-chloro-2-methyl-3-pyridinyl)-4-fluoro-2-nitrobenzamide
SMILESCc1nc(Cl)ccc1NC(=O)c1ccc(F)cc1[N+](=O)[O-]
InChIInChI=1S/C13H9ClFN3O3/c1-7-10(4-5-12(14)16-7)17-13(19)9-3-2-8(15)6-11(9)18(20)21/h2-6H,1H3,(H,17,19)
InChIKeyUCXDGPXRQJEISD-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

2,6-dichloro-N-(5-fluoro-2-nitrophenyl)pyridine-3-carboxamide
CID 106994147
N-(6-chloro-2-methyl-3-pyridinyl)-3-fluoro-5-nitrobenzamide
CID 107301004
N-(6-chloro-2-methyl-3-pyridinyl)-2-fluoro-4-hydroxybenzamide
CID 107301250
4-fluoro-N-(2-fluoro-4-hydroxyphenyl)-2-nitrobenzamide
CID 75502193
N-(5-chloropyrazin-2-yl)-4-fluoro-2-nitrobenzamide
CID 107595729
5-chloro-N-(4-fluoro-2-methylphenyl)-2-nitrobenzamide
CID 8866239
4-fluoro-N-(6-fluoro-2-pyridinyl)-2-nitrobenzamide
CID 104820949
N-(5-amino-2-fluorophenyl)-4-fluoro-2-nitrobenzamide
CID 115736636
5-fluoro-N-(2-methyl-3-pyridinyl)-2-nitrobenzamide
CID 79041873
N-(3-chloro-2-pyridinyl)-4-fluoro-2-nitrobenzamide
CID 103943386
N-(6-bromo-2-methyl-3-pyridinyl)-4-fluoro-2-methylbenzamide
CID 113349854
N-(6-chloro-2-methyl-3-pyridinyl)-3,4,5-trifluorobenzamide
CID 107301415

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-2-methyl-3-pyridinyl)-4-fluoro-2-nitrobenzamide?
The IUPAC name of N-(6-chloro-2-methyl-3-pyridinyl)-4-fluoro-2-nitrobenzamide (CID 107301433) is N-(6-chloro-2-methyl-3-pyridinyl)-4-fluoro-2-nitrobenzamide.
What is the SMILES notation for N-(6-chloro-2-methyl-3-pyridinyl)-4-fluoro-2-nitrobenzamide?
The canonical SMILES for N-(6-chloro-2-methyl-3-pyridinyl)-4-fluoro-2-nitrobenzamide is Cc1nc(Cl)ccc1NC(=O)c1ccc(F)cc1[N+](=O)[O-].
What is the InChIKey of N-(6-chloro-2-methyl-3-pyridinyl)-4-fluoro-2-nitrobenzamide?
The InChIKey is UCXDGPXRQJEISD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFN3O3/c1-7-10(4-5-12(14)16-7)17-13(19)9-3-2-8(15)6-11(9)18(20)21/h2-6H,1H3,(H,17,19).
What are the key properties of N-(6-chloro-2-methyl-3-pyridinyl)-4-fluoro-2-nitrobenzamide?
N-(6-chloro-2-methyl-3-pyridinyl)-4-fluoro-2-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)-4-fluoro-2-nitrobenzamide is sourced from PubChem (CID 107301433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).