1-(3-nitro-2-pyridinyl)-2-(pyridin-2-ylmethyl)guanidine

C12H12N6O2 — CID 100575102

IUPAC1-(3-nitro-2-pyridinyl)-2-(pyridin-2-ylmethyl)guanidine
SMILESN/C(=N\Cc1ccccn1)Nc1ncccc1[N+](=O)[O-]
InChIInChI=1S/C12H12N6O2/c13-12(16-8-9-4-1-2-6-14-9)17-11-10(18(19)20)5-3-7-15-11/h1-7H,8H2,(H3,13,15,16,17)
InChIKeyFHHHWXBFHLGYKR-UHFFFAOYSA-N
MW272.27 g/mol
LogP1.31
Rot. Bonds4

About 1-(3-nitro-2-pyridinyl)-2-(pyridin-2-ylmethyl)guanidine

1-(3-nitro-2-pyridinyl)-2-(pyridin-2-ylmethyl)guanidine (PubChem CID 100575102) has the molecular formula C12H12N6O2 and a molecular weight of 272.27 g/mol. Its IUPAC name is 1-(3-nitro-2-pyridinyl)-2-(pyridin-2-ylmethyl)guanidine.

Molecular Properties

Compound Name1-(3-nitro-2-pyridinyl)-2-(pyridin-2-ylmethyl)guanidine
PubChem CID100575102
Molecular FormulaC12H12N6O2
Molecular Weight272.27 g/mol
Exact Mass272.10
IUPAC Name1-(3-nitro-2-pyridinyl)-2-(pyridin-2-ylmethyl)guanidine
SMILESN/C(=N\Cc1ccccn1)Nc1ncccc1[N+](=O)[O-]
InChIInChI=1S/C12H12N6O2/c13-12(16-8-9-4-1-2-6-14-9)17-11-10(18(19)20)5-3-7-15-11/h1-7H,8H2,(H3,13,15,16,17)
InChIKeyFHHHWXBFHLGYKR-UHFFFAOYSA-N
XLogP1.31
TPSA119.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.27
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

2-[(3-methoxyphenyl)methyl]-1-(3-nitro-2-pyridinyl)guanidine
CID 100574288
1-phenyl-2-(pyridin-2-ylmethyl)guanidine
CID 62072214
2-[2-(1H-indol-3-yl)ethyl]-1-(3-nitro-2-pyridinyl)guanidine
CID 100574593
1-amino-2-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 86736541
(3-nitro-2-pyridinyl)hydrazine
CID 3578935
1-(3-nitro-2-pyridinyl)-3-phenylurea
CID 134095340
3-nitro-N-(pyridazin-3-ylmethyl)pyridin-2-amine
CID 106832672
1-ethyl-3-[2-(2-nitroanilino)ethyl]-2-(pyridin-2-ylmethyl)guanidine
CID 110968758
2-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1-(3-nitro-2-pyridinyl)guanidine
CID 100574653
N-methyl-3-nitropyridin-2-amine
CID 556349
1-(2-methylpropyl)-2-(pyridin-2-ylmethyl)guanidine
CID 62362398
2-(pyridin-2-ylmethyl)guanidine;sulfuric acid
CID 13371455

Frequently Asked Questions

What is the IUPAC name of 1-(3-nitro-2-pyridinyl)-2-(pyridin-2-ylmethyl)guanidine?
The IUPAC name of 1-(3-nitro-2-pyridinyl)-2-(pyridin-2-ylmethyl)guanidine (CID 100575102) is 1-(3-nitro-2-pyridinyl)-2-(pyridin-2-ylmethyl)guanidine.
What is the SMILES notation for 1-(3-nitro-2-pyridinyl)-2-(pyridin-2-ylmethyl)guanidine?
The canonical SMILES for 1-(3-nitro-2-pyridinyl)-2-(pyridin-2-ylmethyl)guanidine is N/C(=N\Cc1ccccn1)Nc1ncccc1[N+](=O)[O-].
What is the InChIKey of 1-(3-nitro-2-pyridinyl)-2-(pyridin-2-ylmethyl)guanidine?
The InChIKey is FHHHWXBFHLGYKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6O2/c13-12(16-8-9-4-1-2-6-14-9)17-11-10(18(19)20)5-3-7-15-11/h1-7H,8H2,(H3,13,15,16,17).
What are the key properties of 1-(3-nitro-2-pyridinyl)-2-(pyridin-2-ylmethyl)guanidine?
1-(3-nitro-2-pyridinyl)-2-(pyridin-2-ylmethyl)guanidine has a molecular weight of 272.27 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-nitro-2-pyridinyl)-2-(pyridin-2-ylmethyl)guanidine is sourced from PubChem (CID 100575102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).