N-(2-methylcyclopropyl)-3-nitropyridin-2-amine

C9H11N3O2 — CID 62396767

IUPACN-(2-methylcyclopropyl)-3-nitropyridin-2-amine
SMILESCC1CC1Nc1ncccc1[N+](=O)[O-]
InChIInChI=1S/C9H11N3O2/c1-6-5-7(6)11-9-8(12(13)14)3-2-4-10-9/h2-4,6-7H,5H2,1H3,(H,10,11)
InChIKeyHGVPNNYCQGRGDX-UHFFFAOYSA-N
MW193.21 g/mol
LogP1.81
Rot. Bonds3

About N-(2-methylcyclopropyl)-3-nitropyridin-2-amine

N-(2-methylcyclopropyl)-3-nitropyridin-2-amine (PubChem CID 62396767) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is N-(2-methylcyclopropyl)-3-nitropyridin-2-amine.

Molecular Properties

Compound NameN-(2-methylcyclopropyl)-3-nitropyridin-2-amine
PubChem CID62396767
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC NameN-(2-methylcyclopropyl)-3-nitropyridin-2-amine
SMILESCC1CC1Nc1ncccc1[N+](=O)[O-]
InChIInChI=1S/C9H11N3O2/c1-6-5-7(6)11-9-8(12(13)14)3-2-4-10-9/h2-4,6-7H,5H2,1H3,(H,10,11)
InChIKeyHGVPNNYCQGRGDX-UHFFFAOYSA-N
XLogP1.81
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-3-nitropyridin-2-amine
CID 11938982
2,2-dimethyl-3-[(3-nitro-2-pyridinyl)amino]cyclobutan-1-ol
CID 114630093
N-cyclopropyl-3-nitropyridin-2-amine;hydrochloride
CID 133059151
N-(2,2-dimethylcyclopropyl)-3-nitropyridin-2-amine
CID 61223122
2-N-(3-nitro-2-pyridinyl)cyclohexane-1,2-diamine
CID 54904971
2-[(3-nitro-2-pyridinyl)amino]cyclohexane-1-carboxylic acid
CID 64818217
3-nitro-N-(2,2,3,3-tetramethylcyclopropyl)pyridin-2-amine
CID 79363256
N-methyl-3-nitropyridin-2-amine
CID 556349
N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-3-nitropyridin-2-amine
CID 133347869
4-N-(3-nitro-2-pyridinyl)cyclohexane-1,4-diamine
CID 22591412
2-[2-[(3-nitro-2-pyridinyl)amino]cyclopentyl]ethanol
CID 133496220
(3-nitro-2-pyridinyl)hydrazine
CID 3578935

Frequently Asked Questions

What is the IUPAC name of N-(2-methylcyclopropyl)-3-nitropyridin-2-amine?
The IUPAC name of N-(2-methylcyclopropyl)-3-nitropyridin-2-amine (CID 62396767) is N-(2-methylcyclopropyl)-3-nitropyridin-2-amine.
What is the SMILES notation for N-(2-methylcyclopropyl)-3-nitropyridin-2-amine?
The canonical SMILES for N-(2-methylcyclopropyl)-3-nitropyridin-2-amine is CC1CC1Nc1ncccc1[N+](=O)[O-].
What is the InChIKey of N-(2-methylcyclopropyl)-3-nitropyridin-2-amine?
The InChIKey is HGVPNNYCQGRGDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2/c1-6-5-7(6)11-9-8(12(13)14)3-2-4-10-9/h2-4,6-7H,5H2,1H3,(H,10,11).
What are the key properties of N-(2-methylcyclopropyl)-3-nitropyridin-2-amine?
N-(2-methylcyclopropyl)-3-nitropyridin-2-amine has a molecular weight of 193.21 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylcyclopropyl)-3-nitropyridin-2-amine is sourced from PubChem (CID 62396767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).