6-imidazol-1-yl-3-nitropyridin-2-amine

C8H7N5O2 — CID 10512423

IUPAC6-imidazol-1-yl-3-nitropyridin-2-amine
SMILESNc1nc(-n2ccnc2)ccc1[N+](=O)[O-]
InChIInChI=1S/C8H7N5O2/c9-8-6(13(14)15)1-2-7(11-8)12-4-3-10-5-12/h1-5H,(H2,9,11)
InChIKeyKITYVGHDCPYTCO-UHFFFAOYSA-N
MW205.18 g/mol
LogP0.76
Rot. Bonds2

About 6-imidazol-1-yl-3-nitropyridin-2-amine

6-imidazol-1-yl-3-nitropyridin-2-amine (PubChem CID 10512423) has the molecular formula C8H7N5O2 and a molecular weight of 205.18 g/mol. Its IUPAC name is 6-imidazol-1-yl-3-nitropyridin-2-amine.

Molecular Properties

Compound Name6-imidazol-1-yl-3-nitropyridin-2-amine
PubChem CID10512423
Molecular FormulaC8H7N5O2
Molecular Weight205.18 g/mol
Exact Mass205.06
IUPAC Name6-imidazol-1-yl-3-nitropyridin-2-amine
SMILESNc1nc(-n2ccnc2)ccc1[N+](=O)[O-]
InChIInChI=1S/C8H7N5O2/c9-8-6(13(14)15)1-2-7(11-8)12-4-3-10-5-12/h1-5H,(H2,9,11)
InChIKeyKITYVGHDCPYTCO-UHFFFAOYSA-N
XLogP0.76
TPSA99.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.18
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-(3-methylpyrazol-1-yl)-3-nitropyridin-2-amine
CID 79815731
1-(3-iodo-4-nitrophenyl)imidazole
CID 47278183
6-(4-methylpiperazin-1-yl)-3-nitropyridin-2-amine
CID 21354525
1-(6-amino-5-nitro-2-pyridinyl)pyrrole-2-carbonitrile
CID 114655593
5-imidazol-1-yl-2-nitrobenzamide
CID 19709767
6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-3-nitropyridin-2-amine
CID 99718980
8-imidazol-1-yl-5-nitroisoquinoline
CID 103143009
6-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-3-nitropyridin-2-amine
CID 99718979
6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-nitropyridin-2-amine
CID 113336387
1-(4-fluoro-3-nitrophenyl)imidazole
CID 139799498
6-(3-amino-4-methylpyrrolidin-1-yl)-3-nitropyridin-2-amine
CID 103577786
8-(6-amino-5-nitro-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 79816393

Frequently Asked Questions

What is the IUPAC name of 6-imidazol-1-yl-3-nitropyridin-2-amine?
The IUPAC name of 6-imidazol-1-yl-3-nitropyridin-2-amine (CID 10512423) is 6-imidazol-1-yl-3-nitropyridin-2-amine.
What is the SMILES notation for 6-imidazol-1-yl-3-nitropyridin-2-amine?
The canonical SMILES for 6-imidazol-1-yl-3-nitropyridin-2-amine is Nc1nc(-n2ccnc2)ccc1[N+](=O)[O-].
What is the InChIKey of 6-imidazol-1-yl-3-nitropyridin-2-amine?
The InChIKey is KITYVGHDCPYTCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N5O2/c9-8-6(13(14)15)1-2-7(11-8)12-4-3-10-5-12/h1-5H,(H2,9,11).
What are the key properties of 6-imidazol-1-yl-3-nitropyridin-2-amine?
6-imidazol-1-yl-3-nitropyridin-2-amine has a molecular weight of 205.18 g/mol, XLogP of 0.76, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-imidazol-1-yl-3-nitropyridin-2-amine is sourced from PubChem (CID 10512423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).