N-(6-chloro-3-nitro-2-pyridinyl)-5-nitro-1H-pyrrole-2-carboxamide

C10H6ClN5O5 — CID 104820409

IUPACN-(6-chloro-3-nitro-2-pyridinyl)-5-nitro-1H-pyrrole-2-carboxamide
SMILESO=C(Nc1nc(Cl)ccc1[N+](=O)[O-])c1ccc([N+](=O)[O-])[nH]1
InChIInChI=1S/C10H6ClN5O5/c11-7-3-2-6(15(18)19)9(13-7)14-10(17)5-1-4-8(12-5)16(20)21/h1-4,12H,(H,13,14,17)
InChIKeyGKHXTDIYEUIWOS-UHFFFAOYSA-N
MW311.64 g/mol
LogP2.13
Rot. Bonds4

About N-(6-chloro-3-nitro-2-pyridinyl)-5-nitro-1H-pyrrole-2-carboxamide

N-(6-chloro-3-nitro-2-pyridinyl)-5-nitro-1H-pyrrole-2-carboxamide (PubChem CID 104820409) has the molecular formula C10H6ClN5O5 and a molecular weight of 311.64 g/mol. Its IUPAC name is N-(6-chloro-3-nitro-2-pyridinyl)-5-nitro-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(6-chloro-3-nitro-2-pyridinyl)-5-nitro-1H-pyrrole-2-carboxamide
PubChem CID104820409
Molecular FormulaC10H6ClN5O5
Molecular Weight311.64 g/mol
Exact Mass311.01
IUPAC NameN-(6-chloro-3-nitro-2-pyridinyl)-5-nitro-1H-pyrrole-2-carboxamide
SMILESO=C(Nc1nc(Cl)ccc1[N+](=O)[O-])c1ccc([N+](=O)[O-])[nH]1
InChIInChI=1S/C10H6ClN5O5/c11-7-3-2-6(15(18)19)9(13-7)14-10(17)5-1-4-8(12-5)16(20)21/h1-4,12H,(H,13,14,17)
InChIKeyGKHXTDIYEUIWOS-UHFFFAOYSA-N
XLogP2.13
TPSA144.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.64
LogP ≤ 52.13
H-Bond Donors ≤ 52
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

N-(6-chloro-3-nitro-2-pyridinyl)-4-hydroxybenzamide
CID 104820312
N-(6-chloro-3-nitro-2-pyridinyl)-6-oxo-1H-pyrazine-3-carboxamide
CID 104820299
N-(6-chloro-3-nitro-2-pyridinyl)-3,5-dimethylbenzamide
CID 115576070
N-(6-chloro-3-nitro-2-pyridinyl)-2-iodobenzamide
CID 104820266
N-(6-chloro-3-nitro-2-pyridinyl)-2-fluorobenzamide
CID 115576061
N-(6-chloro-3-nitro-2-pyridinyl)pyrazine-2-carboxamide
CID 104820251
5-bromo-2-chloro-N-(6-chloro-3-nitro-2-pyridinyl)benzamide
CID 104820206
N-(6-chloro-3-nitro-2-pyridinyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 104820422
N-(6-chloro-3-nitro-2-pyridinyl)-1,5-dimethylpyrrole-2-carboxamide
CID 104820470
3-chloro-N-(6-chloro-3-nitro-2-pyridinyl)-4-fluorobenzamide
CID 104820375
2-chloro-N-(6-chloro-3-nitro-2-pyridinyl)-6-fluorobenzamide
CID 104820349
N-(6-chloro-3-nitro-2-pyridinyl)-2,5-dimethylbenzamide
CID 104820207

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-3-nitro-2-pyridinyl)-5-nitro-1H-pyrrole-2-carboxamide?
The IUPAC name of N-(6-chloro-3-nitro-2-pyridinyl)-5-nitro-1H-pyrrole-2-carboxamide (CID 104820409) is N-(6-chloro-3-nitro-2-pyridinyl)-5-nitro-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-(6-chloro-3-nitro-2-pyridinyl)-5-nitro-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-(6-chloro-3-nitro-2-pyridinyl)-5-nitro-1H-pyrrole-2-carboxamide is O=C(Nc1nc(Cl)ccc1[N+](=O)[O-])c1ccc([N+](=O)[O-])[nH]1.
What is the InChIKey of N-(6-chloro-3-nitro-2-pyridinyl)-5-nitro-1H-pyrrole-2-carboxamide?
The InChIKey is GKHXTDIYEUIWOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClN5O5/c11-7-3-2-6(15(18)19)9(13-7)14-10(17)5-1-4-8(12-5)16(20)21/h1-4,12H,(H,13,14,17).
What are the key properties of N-(6-chloro-3-nitro-2-pyridinyl)-5-nitro-1H-pyrrole-2-carboxamide?
N-(6-chloro-3-nitro-2-pyridinyl)-5-nitro-1H-pyrrole-2-carboxamide has a molecular weight of 311.64 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-3-nitro-2-pyridinyl)-5-nitro-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 104820409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).