2-chloro-N-morpholin-4-yl-3-nitropyridine-4-carboxamide

C10H11ClN4O4 — CID 83013710

IUPAC2-chloro-N-morpholin-4-yl-3-nitropyridine-4-carboxamide
SMILESO=C(NN1CCOCC1)c1ccnc(Cl)c1[N+](=O)[O-]
InChIInChI=1S/C10H11ClN4O4/c11-9-8(15(17)18)7(1-2-12-9)10(16)13-14-3-5-19-6-4-14/h1-2H,3-6H2,(H,13,16)
InChIKeyRLUJIZQAXURPML-UHFFFAOYSA-N
MW286.67 g/mol
LogP0.62
Rot. Bonds3

About 2-chloro-N-morpholin-4-yl-3-nitropyridine-4-carboxamide

2-chloro-N-morpholin-4-yl-3-nitropyridine-4-carboxamide (PubChem CID 83013710) has the molecular formula C10H11ClN4O4 and a molecular weight of 286.67 g/mol. Its IUPAC name is 2-chloro-N-morpholin-4-yl-3-nitropyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-morpholin-4-yl-3-nitropyridine-4-carboxamide
PubChem CID83013710
Molecular FormulaC10H11ClN4O4
Molecular Weight286.67 g/mol
Exact Mass286.05
IUPAC Name2-chloro-N-morpholin-4-yl-3-nitropyridine-4-carboxamide
SMILESO=C(NN1CCOCC1)c1ccnc(Cl)c1[N+](=O)[O-]
InChIInChI=1S/C10H11ClN4O4/c11-9-8(15(17)18)7(1-2-12-9)10(16)13-14-3-5-19-6-4-14/h1-2H,3-6H2,(H,13,16)
InChIKeyRLUJIZQAXURPML-UHFFFAOYSA-N
XLogP0.62
TPSA97.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.67
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-3-nitropyridine-4-carboxylic acid;nitrous acid
CID 175487239
4-chloro-N-morpholin-4-ylpyridine-3-carboxamide
CID 82841865
2-amino-3-chloro-N-morpholin-4-yl-5-nitrobenzamide
CID 107200771
5-bromo-N-morpholin-4-yl-2-nitropyridine-4-carboxamide
CID 114194317
2-chloro-N-[(1-methylcyclopropyl)methyl]-3-nitropyridine-4-carboxamide
CID 113248375
2-chloro-N-(3,3-dimethylbutan-2-yl)-3-nitropyridine-4-carboxamide
CID 113242404
2-chloro-N-[(1-hydroxycyclobutyl)methyl]-3-nitropyridine-4-carboxamide
CID 113247244
3-hydroxy-N-morpholin-4-ylpyridine-4-carboxamide
CID 80706511
(2S)-2-[(2-chloro-3-nitropyridine-4-carbonyl)amino]-3-hydroxypropanoic acid
CID 114036572
2-chloro-3-nitro-N-pyridazin-3-ylpyridine-4-carboxamide
CID 115683157
2-chloro-N-[(4-hydroxyphenyl)methyl]-3-nitropyridine-4-carboxamide
CID 115735377
(2-chloro-3-nitro-4-pyridinyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107300640

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-morpholin-4-yl-3-nitropyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-morpholin-4-yl-3-nitropyridine-4-carboxamide (CID 83013710) is 2-chloro-N-morpholin-4-yl-3-nitropyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-morpholin-4-yl-3-nitropyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-morpholin-4-yl-3-nitropyridine-4-carboxamide is O=C(NN1CCOCC1)c1ccnc(Cl)c1[N+](=O)[O-].
What is the InChIKey of 2-chloro-N-morpholin-4-yl-3-nitropyridine-4-carboxamide?
The InChIKey is RLUJIZQAXURPML-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4O4/c11-9-8(15(17)18)7(1-2-12-9)10(16)13-14-3-5-19-6-4-14/h1-2H,3-6H2,(H,13,16).
What are the key properties of 2-chloro-N-morpholin-4-yl-3-nitropyridine-4-carboxamide?
2-chloro-N-morpholin-4-yl-3-nitropyridine-4-carboxamide has a molecular weight of 286.67 g/mol, XLogP of 0.62, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-morpholin-4-yl-3-nitropyridine-4-carboxamide is sourced from PubChem (CID 83013710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).