2-chloro-N-(5-methyl-1,3,4-oxadiazol-2-yl)-5-nitropyridine-4-carboxamide

C9H6ClN5O4 — CID 114089801

IUPAC2-chloro-N-(5-methyl-1,3,4-oxadiazol-2-yl)-5-nitropyridine-4-carboxamide
SMILESCc1nnc(NC(=O)c2cc(Cl)ncc2[N+](=O)[O-])o1
InChIInChI=1S/C9H6ClN5O4/c1-4-13-14-9(19-4)12-8(16)5-2-7(10)11-3-6(5)15(17)18/h2-3H,1H3,(H,12,14,16)
InChIKeyHYHBQRXRNMLTND-UHFFFAOYSA-N
MW283.63 g/mol
LogP1.59
Rot. Bonds3

About 2-chloro-N-(5-methyl-1,3,4-oxadiazol-2-yl)-5-nitropyridine-4-carboxamide

2-chloro-N-(5-methyl-1,3,4-oxadiazol-2-yl)-5-nitropyridine-4-carboxamide (PubChem CID 114089801) has the molecular formula C9H6ClN5O4 and a molecular weight of 283.63 g/mol. Its IUPAC name is 2-chloro-N-(5-methyl-1,3,4-oxadiazol-2-yl)-5-nitropyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(5-methyl-1,3,4-oxadiazol-2-yl)-5-nitropyridine-4-carboxamide
PubChem CID114089801
Molecular FormulaC9H6ClN5O4
Molecular Weight283.63 g/mol
Exact Mass283.01
IUPAC Name2-chloro-N-(5-methyl-1,3,4-oxadiazol-2-yl)-5-nitropyridine-4-carboxamide
SMILESCc1nnc(NC(=O)c2cc(Cl)ncc2[N+](=O)[O-])o1
InChIInChI=1S/C9H6ClN5O4/c1-4-13-14-9(19-4)12-8(16)5-2-7(10)11-3-6(5)15(17)18/h2-3H,1H3,(H,12,14,16)
InChIKeyHYHBQRXRNMLTND-UHFFFAOYSA-N
XLogP1.59
TPSA124.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.63
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

5-chloro-N-(5-methyl-1,3,4-oxadiazol-2-yl)-2-nitrobenzamide
CID 113218119
2-chloro-5-nitro-N-pyridin-4-ylpyridine-4-carboxamide
CID 103730811
2-chloro-N-cyclopentyl-5-nitropyridine-4-carboxamide
CID 103730768
2-chloro-N-(2,2-dimethylpropyl)-5-nitropyridine-4-carboxamide
CID 113250953
2-chloro-N-[(1S,2S)-2-hydroxycyclohexyl]-5-nitropyridine-4-carboxamide
CID 104957413
N-butyl-2-chloro-5-nitropyridine-4-carboxamide
CID 103730741
2-chloro-N-[(2S)-2-hydroxypropyl]-5-nitropyridine-4-carboxamide
CID 103885996
2-chloro-N-(3-chloro-4-fluorophenyl)-5-nitropyridine-4-carboxamide
CID 103730763
2-chloro-N-(4-cyanophenyl)-5-nitropyridine-4-carboxamide
CID 103732229
2-chloro-5-nitro-N-(1-propan-2-ylpyrazol-4-yl)pyridine-4-carboxamide
CID 103730947
2-chloro-N-(1-cyclobutylethyl)-5-nitropyridine-4-carboxamide
CID 113338565
N-(3-bromo-4-fluorophenyl)-2-chloro-5-nitropyridine-4-carboxamide
CID 103734087

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(5-methyl-1,3,4-oxadiazol-2-yl)-5-nitropyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-(5-methyl-1,3,4-oxadiazol-2-yl)-5-nitropyridine-4-carboxamide (CID 114089801) is 2-chloro-N-(5-methyl-1,3,4-oxadiazol-2-yl)-5-nitropyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-(5-methyl-1,3,4-oxadiazol-2-yl)-5-nitropyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-(5-methyl-1,3,4-oxadiazol-2-yl)-5-nitropyridine-4-carboxamide is Cc1nnc(NC(=O)c2cc(Cl)ncc2[N+](=O)[O-])o1.
What is the InChIKey of 2-chloro-N-(5-methyl-1,3,4-oxadiazol-2-yl)-5-nitropyridine-4-carboxamide?
The InChIKey is HYHBQRXRNMLTND-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClN5O4/c1-4-13-14-9(19-4)12-8(16)5-2-7(10)11-3-6(5)15(17)18/h2-3H,1H3,(H,12,14,16).
What are the key properties of 2-chloro-N-(5-methyl-1,3,4-oxadiazol-2-yl)-5-nitropyridine-4-carboxamide?
2-chloro-N-(5-methyl-1,3,4-oxadiazol-2-yl)-5-nitropyridine-4-carboxamide has a molecular weight of 283.63 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(5-methyl-1,3,4-oxadiazol-2-yl)-5-nitropyridine-4-carboxamide is sourced from PubChem (CID 114089801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).