N-(3-nitro-4-pyridinyl)formamide

C6H5N3O3 — CID 174895660

IUPACN-(3-nitro-4-pyridinyl)formamide
SMILESO=CNc1ccncc1[N+](=O)[O-]
InChIInChI=1S/C6H5N3O3/c10-4-8-5-1-2-7-3-6(5)9(11)12/h1-4H,(H,7,8,10)
InChIKeyIIURTSMDQNIFMK-UHFFFAOYSA-N
MW167.12 g/mol
LogP0.56
Rot. Bonds3

About N-(3-nitro-4-pyridinyl)formamide

N-(3-nitro-4-pyridinyl)formamide (PubChem CID 174895660) has the molecular formula C6H5N3O3 and a molecular weight of 167.12 g/mol. Its IUPAC name is N-(3-nitro-4-pyridinyl)formamide.

Molecular Properties

Compound NameN-(3-nitro-4-pyridinyl)formamide
PubChem CID174895660
Molecular FormulaC6H5N3O3
Molecular Weight167.12 g/mol
Exact Mass167.03
IUPAC NameN-(3-nitro-4-pyridinyl)formamide
SMILESO=CNc1ccncc1[N+](=O)[O-]
InChIInChI=1S/C6H5N3O3/c10-4-8-5-1-2-7-3-6(5)9(11)12/h1-4H,(H,7,8,10)
InChIKeyIIURTSMDQNIFMK-UHFFFAOYSA-N
XLogP0.56
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.12
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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

4-N-(3-nitro-4-pyridinyl)cyclohexane-1,4-diamine
CID 62318502
3-nitro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyridin-4-amine
CID 79363161
N'-(3-nitro-4-pyridinyl)acetohydrazide
CID 3851780
N-(2-chloroprop-2-enyl)-3-nitropyridin-4-amine
CID 115637264
N-(2-methylprop-2-enyl)-3-nitropyridin-4-amine
CID 114617697
4-[(3-nitro-4-pyridinyl)amino]butan-1-ol
CID 19864513
N-[(2-methyl-3-nitrophenyl)methyl]-3-nitropyridin-4-amine
CID 103112027
3-nitro-N-piperidin-4-ylpyridin-4-amine
CID 43167668
3-nitro-N-pentan-2-ylpyridin-4-amine
CID 43114081
N-(3-ethylpentan-2-yl)-3-nitropyridin-4-amine
CID 63838871
N-(4-methylsulfonylphenyl)-3-nitropyridin-4-amine
CID 118027362
6-[(3-nitro-4-pyridinyl)amino]hexan-1-ol
CID 103918222

Frequently Asked Questions

What is the IUPAC name of N-(3-nitro-4-pyridinyl)formamide?
The IUPAC name of N-(3-nitro-4-pyridinyl)formamide (CID 174895660) is N-(3-nitro-4-pyridinyl)formamide.
What is the SMILES notation for N-(3-nitro-4-pyridinyl)formamide?
The canonical SMILES for N-(3-nitro-4-pyridinyl)formamide is O=CNc1ccncc1[N+](=O)[O-].
What is the InChIKey of N-(3-nitro-4-pyridinyl)formamide?
The InChIKey is IIURTSMDQNIFMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3O3/c10-4-8-5-1-2-7-3-6(5)9(11)12/h1-4H,(H,7,8,10).
What are the key properties of N-(3-nitro-4-pyridinyl)formamide?
N-(3-nitro-4-pyridinyl)formamide has a molecular weight of 167.12 g/mol, XLogP of 0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-nitro-4-pyridinyl)formamide is sourced from PubChem (CID 174895660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).