N-(2-methylcyclopropyl)-5-nitropyridin-2-amine

C9H11N3O2 — CID 62397740

IUPACN-(2-methylcyclopropyl)-5-nitropyridin-2-amine
SMILESCC1CC1Nc1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C9H11N3O2/c1-6-4-8(6)11-9-3-2-7(5-10-9)12(13)14/h2-3,5-6,8H,4H2,1H3,(H,10,11)
InChIKeyCTFUNJTXVGSKHW-UHFFFAOYSA-N
MW193.21 g/mol
LogP1.81
Rot. Bonds3

About N-(2-methylcyclopropyl)-5-nitropyridin-2-amine

N-(2-methylcyclopropyl)-5-nitropyridin-2-amine (PubChem CID 62397740) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is N-(2-methylcyclopropyl)-5-nitropyridin-2-amine.

Molecular Properties

Compound NameN-(2-methylcyclopropyl)-5-nitropyridin-2-amine
PubChem CID62397740
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC NameN-(2-methylcyclopropyl)-5-nitropyridin-2-amine
SMILESCC1CC1Nc1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C9H11N3O2/c1-6-4-8(6)11-9-3-2-7(5-10-9)12(13)14/h2-3,5-6,8H,4H2,1H3,(H,10,11)
InChIKeyCTFUNJTXVGSKHW-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

4-N-(5-nitro-2-pyridinyl)cyclohexane-1,4-diamine
CID 22591359
4-[(5-nitro-2-pyridinyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 79216172
5-(difluoromethyl)-N-(2-methylcyclopropyl)pyridin-2-amine
CID 130559278
3-ethoxy-2-N-(5-nitro-2-pyridinyl)cyclobutane-1,2-diamine
CID 66196866
N-(3-ethylsulfanylcyclopentyl)-5-nitropyridin-2-amine
CID 113244226
N-methyl-4-[(5-nitro-2-pyridinyl)amino]cyclohexane-1-carboxamide
CID 47470181
N-(2,2-dimethyloxan-4-yl)-5-nitropyridin-2-amine
CID 113336591
N-(5-nitro-2-pyridinyl)cyclohexanecarboxamide
CID 2931199
N-(5-nitro-2-pyridinyl)adamantane-1-carboxamide
CID 4163230
N-(2,2-dimethylpropyl)-5-nitropyridin-2-amine
CID 59380857
5-nitro-N-(1-propylpiperidin-4-yl)pyridin-2-amine
CID 60667091
2-amino-N-(2-methylcyclopropyl)-5-nitrobenzamide
CID 62410185

Frequently Asked Questions

What is the IUPAC name of N-(2-methylcyclopropyl)-5-nitropyridin-2-amine?
The IUPAC name of N-(2-methylcyclopropyl)-5-nitropyridin-2-amine (CID 62397740) is N-(2-methylcyclopropyl)-5-nitropyridin-2-amine.
What is the SMILES notation for N-(2-methylcyclopropyl)-5-nitropyridin-2-amine?
The canonical SMILES for N-(2-methylcyclopropyl)-5-nitropyridin-2-amine is CC1CC1Nc1ccc([N+](=O)[O-])cn1.
What is the InChIKey of N-(2-methylcyclopropyl)-5-nitropyridin-2-amine?
The InChIKey is CTFUNJTXVGSKHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2/c1-6-4-8(6)11-9-3-2-7(5-10-9)12(13)14/h2-3,5-6,8H,4H2,1H3,(H,10,11).
What are the key properties of N-(2-methylcyclopropyl)-5-nitropyridin-2-amine?
N-(2-methylcyclopropyl)-5-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)-5-nitropyridin-2-amine is sourced from PubChem (CID 62397740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).