2-chloro-6-fluoro-N'-methyl-N'-(5-nitro-2-pyridinyl)benzohydrazide

C13H10ClFN4O3 — CID 2742940

IUPAC2-chloro-6-fluoro-N'-methyl-N'-(5-nitro-2-pyridinyl)benzohydrazide
SMILESCN(NC(=O)c1c(F)cccc1Cl)c1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C13H10ClFN4O3/c1-18(11-6-5-8(7-16-11)19(21)22)17-13(20)12-9(14)3-2-4-10(12)15/h2-7H,1H3,(H,17,20)
InChIKeyUVEVJMHVBMCIPK-UHFFFAOYSA-N
MW324.70 g/mol
LogP2.56
Rot. Bonds4

About 2-chloro-6-fluoro-N'-methyl-N'-(5-nitro-2-pyridinyl)benzohydrazide

2-chloro-6-fluoro-N'-methyl-N'-(5-nitro-2-pyridinyl)benzohydrazide (PubChem CID 2742940) has the molecular formula C13H10ClFN4O3 and a molecular weight of 324.70 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N'-methyl-N'-(5-nitro-2-pyridinyl)benzohydrazide.

Molecular Properties

Compound Name2-chloro-6-fluoro-N'-methyl-N'-(5-nitro-2-pyridinyl)benzohydrazide
PubChem CID2742940
Molecular FormulaC13H10ClFN4O3
Molecular Weight324.70 g/mol
Exact Mass324.04
IUPAC Name2-chloro-6-fluoro-N'-methyl-N'-(5-nitro-2-pyridinyl)benzohydrazide
SMILESCN(NC(=O)c1c(F)cccc1Cl)c1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C13H10ClFN4O3/c1-18(11-6-5-8(7-16-11)19(21)22)17-13(20)12-9(14)3-2-4-10(12)15/h2-7H,1H3,(H,17,20)
InChIKeyUVEVJMHVBMCIPK-UHFFFAOYSA-N
XLogP2.56
TPSA88.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.70
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

3-(2,6-dichlorophenyl)-N',5-dimethyl-N'-(5-nitro-2-pyridinyl)-1,2-oxazole-4-carbohydrazide
CID 2804694
2-chloro-6-fluoro-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide
CID 43952178
2-chloro-6-fluoro-N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 4305236
2-chloro-N-(6-chloro-3-nitro-2-pyridinyl)-6-fluorobenzamide
CID 104820349
2-chloro-N-(3-chloro-2-fluorophenyl)-5-nitropyridine-3-carboxamide
CID 103916955
2,6-dichloro-N-(4-nitrophenyl)benzamide
CID 4206634
2,6-difluoro-N-(4-nitrophenyl)benzamide
CID 2841260
3-[(5-nitro-2-pyridinyl)-prop-2-ynylamino]propanoic acid
CID 82310520
N-[[1-(2,6-difluorophenyl)cyclopentyl]methyl]-2-methyl-5-nitropyridine-3-carboxamide
CID 99791597
(2-chloro-6-fluorophenyl)-(3-nitro-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone
CID 84597542
2-chloro-N-(cyanomethyl)-6-fluorobenzamide
CID 60894493
2-chloro-N-[6-(dipropylamino)pyridazin-3-yl]-6-fluorobenzamide
CID 113045170

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-N'-methyl-N'-(5-nitro-2-pyridinyl)benzohydrazide?
The IUPAC name of 2-chloro-6-fluoro-N'-methyl-N'-(5-nitro-2-pyridinyl)benzohydrazide (CID 2742940) is 2-chloro-6-fluoro-N'-methyl-N'-(5-nitro-2-pyridinyl)benzohydrazide.
What is the SMILES notation for 2-chloro-6-fluoro-N'-methyl-N'-(5-nitro-2-pyridinyl)benzohydrazide?
The canonical SMILES for 2-chloro-6-fluoro-N'-methyl-N'-(5-nitro-2-pyridinyl)benzohydrazide is CN(NC(=O)c1c(F)cccc1Cl)c1ccc([N+](=O)[O-])cn1.
What is the InChIKey of 2-chloro-6-fluoro-N'-methyl-N'-(5-nitro-2-pyridinyl)benzohydrazide?
The InChIKey is UVEVJMHVBMCIPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClFN4O3/c1-18(11-6-5-8(7-16-11)19(21)22)17-13(20)12-9(14)3-2-4-10(12)15/h2-7H,1H3,(H,17,20).
What are the key properties of 2-chloro-6-fluoro-N'-methyl-N'-(5-nitro-2-pyridinyl)benzohydrazide?
2-chloro-6-fluoro-N'-methyl-N'-(5-nitro-2-pyridinyl)benzohydrazide has a molecular weight of 324.70 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-N'-methyl-N'-(5-nitro-2-pyridinyl)benzohydrazide is sourced from PubChem (CID 2742940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).