2-chloro-N-(2-methylpropyl)-5-nitropyridine-3-carboxamide

C10H12ClN3O3 — CID 103803211

IUPAC2-chloro-N-(2-methylpropyl)-5-nitropyridine-3-carboxamide
SMILESCC(C)CNC(=O)c1cc([N+](=O)[O-])cnc1Cl
InChIInChI=1S/C10H12ClN3O3/c1-6(2)4-13-10(15)8-3-7(14(16)17)5-12-9(8)11/h3,5-6H,4H2,1-2H3,(H,13,15)
InChIKeyBPISVGRSYQLAAP-UHFFFAOYSA-N
MW257.68 g/mol
LogP2.03
Rot. Bonds4

About 2-chloro-N-(2-methylpropyl)-5-nitropyridine-3-carboxamide

2-chloro-N-(2-methylpropyl)-5-nitropyridine-3-carboxamide (PubChem CID 103803211) has the molecular formula C10H12ClN3O3 and a molecular weight of 257.68 g/mol. Its IUPAC name is 2-chloro-N-(2-methylpropyl)-5-nitropyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(2-methylpropyl)-5-nitropyridine-3-carboxamide
PubChem CID103803211
Molecular FormulaC10H12ClN3O3
Molecular Weight257.68 g/mol
Exact Mass257.06
IUPAC Name2-chloro-N-(2-methylpropyl)-5-nitropyridine-3-carboxamide
SMILESCC(C)CNC(=O)c1cc([N+](=O)[O-])cnc1Cl
InChIInChI=1S/C10H12ClN3O3/c1-6(2)4-13-10(15)8-3-7(14(16)17)5-12-9(8)11/h3,5-6H,4H2,1-2H3,(H,13,15)
InChIKeyBPISVGRSYQLAAP-UHFFFAOYSA-N
XLogP2.03
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.68
LogP ≤ 52.03
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-chloro-N-(2-cyanopropyl)-5-nitropyridine-3-carboxamide
CID 103803947
2-methyl-N-(2-methylpropyl)-5-nitropyridine-3-carboxamide
CID 21405310
N-(3-amino-2-hydroxy-3-oxopropyl)-2-chloro-5-nitropyridine-3-carboxamide
CID 106164488
2-chloro-N-[2-(methylamino)-2-oxoethyl]-5-nitropyridine-3-carboxamide
CID 103803521
2-chloro-N-[3-(methylamino)propyl]-5-nitropyridine-3-carboxamide
CID 114046917
2-chloro-N-(2-ethyl-2-hydroxybutyl)-5-nitropyridine-3-carboxamide
CID 103803926
methyl (2S)-2-[(2-chloro-5-nitropyridine-3-carbonyl)amino]propanoate
CID 103803511
2-chloro-5-nitro-N-(2,2,3,3-tetrafluoropropyl)pyridine-3-carboxamide
CID 106291227
2-chloro-N-(3-methylsulfonylpropyl)-5-nitropyridine-3-carboxamide
CID 103803706
2-chloro-N-[(2R)-1-hydroxybutan-2-yl]-5-nitropyridine-3-carboxamide
CID 114046633
2-chloro-5-nitro-N-pent-1-yn-3-ylpyridine-3-carboxamide
CID 106228673
2-chloro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-5-nitropyridine-3-carboxamide
CID 103817351

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-methylpropyl)-5-nitropyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-(2-methylpropyl)-5-nitropyridine-3-carboxamide (CID 103803211) is 2-chloro-N-(2-methylpropyl)-5-nitropyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-(2-methylpropyl)-5-nitropyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-(2-methylpropyl)-5-nitropyridine-3-carboxamide is CC(C)CNC(=O)c1cc([N+](=O)[O-])cnc1Cl.
What is the InChIKey of 2-chloro-N-(2-methylpropyl)-5-nitropyridine-3-carboxamide?
The InChIKey is BPISVGRSYQLAAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O3/c1-6(2)4-13-10(15)8-3-7(14(16)17)5-12-9(8)11/h3,5-6H,4H2,1-2H3,(H,13,15).
What are the key properties of 2-chloro-N-(2-methylpropyl)-5-nitropyridine-3-carboxamide?
2-chloro-N-(2-methylpropyl)-5-nitropyridine-3-carboxamide has a molecular weight of 257.68 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-methylpropyl)-5-nitropyridine-3-carboxamide is sourced from PubChem (CID 103803211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).