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

C13H10ClN3O3 — CID 82780242

IUPAC3-chloro-N-(6-methyl-2-pyridinyl)-4-nitrobenzamide
SMILESCc1cccc(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)n1
InChIInChI=1S/C13H10ClN3O3/c1-8-3-2-4-12(15-8)16-13(18)9-5-6-11(17(19)20)10(14)7-9/h2-7H,1H3,(H,15,16,18)
InChIKeyCDLADWQDLCQJTA-UHFFFAOYSA-N
MW291.69 g/mol
LogP3.20
Rot. Bonds3

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

3-chloro-N-(6-methyl-2-pyridinyl)-4-nitrobenzamide (PubChem CID 82780242) has the molecular formula C13H10ClN3O3 and a molecular weight of 291.69 g/mol. Its IUPAC name is 3-chloro-N-(6-methyl-2-pyridinyl)-4-nitrobenzamide.

Molecular Properties

Compound Name3-chloro-N-(6-methyl-2-pyridinyl)-4-nitrobenzamide
PubChem CID82780242
Molecular FormulaC13H10ClN3O3
Molecular Weight291.69 g/mol
Exact Mass291.04
IUPAC Name3-chloro-N-(6-methyl-2-pyridinyl)-4-nitrobenzamide
SMILESCc1cccc(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)n1
InChIInChI=1S/C13H10ClN3O3/c1-8-3-2-4-12(15-8)16-13(18)9-5-6-11(17(19)20)10(14)7-9/h2-7H,1H3,(H,15,16,18)
InChIKeyCDLADWQDLCQJTA-UHFFFAOYSA-N
XLogP3.20
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.69
LogP ≤ 53.20
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

3-methyl-N-[(6-methyl-2-pyridinyl)carbamothioyl]-4-nitrobenzamide
CID 3757488
4-chloro-N-(4,6-dimethyl-2-pyridinyl)-3-nitrobenzamide
CID 3565218
3-chloro-N-(2,6-difluorophenyl)-4-nitrobenzamide
CID 82775247
3-chloro-4-nitro-N-(5-nitro-2-pyridinyl)benzamide
CID 11834512
3-chloro-4-nitro-N-pyrazin-2-ylbenzamide
CID 82781781
3,4-diamino-N-(6-methyl-2-pyridinyl)benzamide
CID 22411201
3-methyl-N-(6-methyl-2-pyridinyl)benzamide
CID 966005
3-chloro-N-(2-methyl-6-propan-2-ylphenyl)-4-nitrobenzamide
CID 840735
3-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)-4-nitrobenzamide
CID 104864808
3-chloro-N-(2-chloro-4-methyl-3-pyridinyl)-4-nitrobenzamide
CID 82776473
3-chloro-N-(2-chloro-3-pyridinyl)-4-nitrobenzamide
CID 821596
3-chloro-4-nitro-N-(thiatriazol-5-yl)benzamide
CID 114912099

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(6-methyl-2-pyridinyl)-4-nitrobenzamide?
The IUPAC name of 3-chloro-N-(6-methyl-2-pyridinyl)-4-nitrobenzamide (CID 82780242) is 3-chloro-N-(6-methyl-2-pyridinyl)-4-nitrobenzamide.
What is the SMILES notation for 3-chloro-N-(6-methyl-2-pyridinyl)-4-nitrobenzamide?
The canonical SMILES for 3-chloro-N-(6-methyl-2-pyridinyl)-4-nitrobenzamide is Cc1cccc(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)n1.
What is the InChIKey of 3-chloro-N-(6-methyl-2-pyridinyl)-4-nitrobenzamide?
The InChIKey is CDLADWQDLCQJTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3O3/c1-8-3-2-4-12(15-8)16-13(18)9-5-6-11(17(19)20)10(14)7-9/h2-7H,1H3,(H,15,16,18).
What are the key properties of 3-chloro-N-(6-methyl-2-pyridinyl)-4-nitrobenzamide?
3-chloro-N-(6-methyl-2-pyridinyl)-4-nitrobenzamide has a molecular weight of 291.69 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(6-methyl-2-pyridinyl)-4-nitrobenzamide is sourced from PubChem (CID 82780242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).