aminomethylidene-[(6-methyl-5-nitro-2-pyridinyl)iminomethyl]azanium

C8H10N5O2+ — CID 149477160

IUPACaminomethylidene-[(6-methyl-5-nitro-2-pyridinyl)iminomethyl]azanium
SMILESCc1nc(/N=C/[NH+]=C/N)ccc1[N+](=O)[O-]
InChIInChI=1S/C8H9N5O2/c1-6-7(13(14)15)2-3-8(12-6)11-5-10-4-9/h2-5H,1H3,(H2,9,10,11,12)/p+1
InChIKeyZCNJJNHIAFYVMA-UHFFFAOYSA-O
MW208.20 g/mol
LogP-0.97
Rot. Bonds3

About aminomethylidene-[(6-methyl-5-nitro-2-pyridinyl)iminomethyl]azanium

aminomethylidene-[(6-methyl-5-nitro-2-pyridinyl)iminomethyl]azanium (PubChem CID 149477160) has the molecular formula C8H10N5O2+ and a molecular weight of 208.20 g/mol. Its IUPAC name is aminomethylidene-[(6-methyl-5-nitro-2-pyridinyl)iminomethyl]azanium.

Molecular Properties

Compound Nameaminomethylidene-[(6-methyl-5-nitro-2-pyridinyl)iminomethyl]azanium
PubChem CID149477160
Molecular FormulaC8H10N5O2+
Molecular Weight208.20 g/mol
Exact Mass208.08
IUPAC Nameaminomethylidene-[(6-methyl-5-nitro-2-pyridinyl)iminomethyl]azanium
SMILESCc1nc(/N=C/[NH+]=C/N)ccc1[N+](=O)[O-]
InChIInChI=1S/C8H9N5O2/c1-6-7(13(14)15)2-3-8(12-6)11-5-10-4-9/h2-5H,1H3,(H2,9,10,11,12)/p+1
InChIKeyZCNJJNHIAFYVMA-UHFFFAOYSA-O
XLogP-0.97
TPSA108.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.20
LogP ≤ 5-0.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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

3-(6-methyl-5-nitro-2-pyridinyl)prop-2-en-1-amine
CID 169463871
N-[(4-aminophenyl)methyl]-6-methyl-5-nitropyridin-2-amine
CID 116650504
trimethyl-[2-(6-methyl-5-nitro-2-pyridinyl)ethynyl]silane
CID 53484335
6-chloro-5-nitropyridin-2-amine
CID 3069277
6-methyl-5-nitropyridin-2-amine;6-methyl-5-nitro-1H-pyridin-2-one
CID 160641556
3-methyl-6-nitrobenzene-1,2-diamine
CID 54544550
6-methyl-5-nitro-N-(pyridin-3-ylmethyl)pyridin-2-amine
CID 80718550
(2E)-2-[amino-(6-methyl-5-nitro-2-pyridinyl)methylidene]pentanoic acid
CID 166948966
1-(6-methyl-5-nitro-2-pyridinyl)butan-1-imine
CID 174573971
6-methyl-5-nitro-N-(2-pyridin-3-ylethyl)pyridin-2-amine
CID 80718289
tributyl-(6-methyl-5-nitro-2-pyridinyl)stannane
CID 142520451
N-but-2-ynyl-6-methyl-5-nitropyridin-2-amine
CID 115903970

Frequently Asked Questions

What is the IUPAC name of aminomethylidene-[(6-methyl-5-nitro-2-pyridinyl)iminomethyl]azanium?
The IUPAC name of aminomethylidene-[(6-methyl-5-nitro-2-pyridinyl)iminomethyl]azanium (CID 149477160) is aminomethylidene-[(6-methyl-5-nitro-2-pyridinyl)iminomethyl]azanium.
What is the SMILES notation for aminomethylidene-[(6-methyl-5-nitro-2-pyridinyl)iminomethyl]azanium?
The canonical SMILES for aminomethylidene-[(6-methyl-5-nitro-2-pyridinyl)iminomethyl]azanium is Cc1nc(/N=C/[NH+]=C/N)ccc1[N+](=O)[O-].
What is the InChIKey of aminomethylidene-[(6-methyl-5-nitro-2-pyridinyl)iminomethyl]azanium?
The InChIKey is ZCNJJNHIAFYVMA-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H9N5O2/c1-6-7(13(14)15)2-3-8(12-6)11-5-10-4-9/h2-5H,1H3,(H2,9,10,11,12)/p+1.
What are the key properties of aminomethylidene-[(6-methyl-5-nitro-2-pyridinyl)iminomethyl]azanium?
aminomethylidene-[(6-methyl-5-nitro-2-pyridinyl)iminomethyl]azanium has a molecular weight of 208.20 g/mol, XLogP of -0.97, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for aminomethylidene-[(6-methyl-5-nitro-2-pyridinyl)iminomethyl]azanium is sourced from PubChem (CID 149477160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).