N-[(2-methylcyclopropyl)methyl]-2-nitropyridin-3-amine

C10H13N3O2 — CID 115586099

IUPACN-[(2-methylcyclopropyl)methyl]-2-nitropyridin-3-amine
SMILESCC1CC1CNc1cccnc1[N+](=O)[O-]
InChIInChI=1S/C10H13N3O2/c1-7-5-8(7)6-12-9-3-2-4-11-10(9)13(14)15/h2-4,7-8,12H,5-6H2,1H3
InChIKeyGEMPSVGDSVJGRD-UHFFFAOYSA-N
MW207.23 g/mol
LogP2.06
Rot. Bonds4

About N-[(2-methylcyclopropyl)methyl]-2-nitropyridin-3-amine

N-[(2-methylcyclopropyl)methyl]-2-nitropyridin-3-amine (PubChem CID 115586099) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is N-[(2-methylcyclopropyl)methyl]-2-nitropyridin-3-amine.

Molecular Properties

Compound NameN-[(2-methylcyclopropyl)methyl]-2-nitropyridin-3-amine
PubChem CID115586099
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC NameN-[(2-methylcyclopropyl)methyl]-2-nitropyridin-3-amine
SMILESCC1CC1CNc1cccnc1[N+](=O)[O-]
InChIInChI=1S/C10H13N3O2/c1-7-5-8(7)6-12-9-3-2-4-11-10(9)13(14)15/h2-4,7-8,12H,5-6H2,1H3
InChIKeyGEMPSVGDSVJGRD-UHFFFAOYSA-N
XLogP2.06
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 52.06
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-(cyclopropylmethyl)-2-nitropyridin-3-amine
CID 119030468
N-(3,5-dimethylcyclohexyl)-2-nitropyridin-3-amine
CID 112692570
2-nitro-N-(oxolan-2-ylmethyl)pyridin-3-amine
CID 115585307
N-[2-(4-methylcyclohexyl)ethyl]-2-nitropyridin-3-amine
CID 104540743
N-(2-cyclopropylpropyl)-2-nitropyridin-3-amine
CID 115591421
N-[(1-ethylpyrrolidin-3-yl)methyl]-2-nitropyridin-3-amine
CID 113224848
N-methyl-2-nitropyridin-3-amine
CID 555983
N-(2-cyclopentylethyl)-2-nitropyridin-3-amine
CID 112685150
N-(2-ethylcyclohexyl)-2-nitropyridin-3-amine
CID 113224726
2-N,2-N-dimethyl-1-N-(2-nitro-3-pyridinyl)propane-1,2-diamine
CID 115586001
N-(2,2-dimethoxyethyl)-2-nitropyridin-3-amine
CID 107390155
2-nitro-N-[(E)-pent-3-enyl]pyridin-3-amine
CID 115628495

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylcyclopropyl)methyl]-2-nitropyridin-3-amine?
The IUPAC name of N-[(2-methylcyclopropyl)methyl]-2-nitropyridin-3-amine (CID 115586099) is N-[(2-methylcyclopropyl)methyl]-2-nitropyridin-3-amine.
What is the SMILES notation for N-[(2-methylcyclopropyl)methyl]-2-nitropyridin-3-amine?
The canonical SMILES for N-[(2-methylcyclopropyl)methyl]-2-nitropyridin-3-amine is CC1CC1CNc1cccnc1[N+](=O)[O-].
What is the InChIKey of N-[(2-methylcyclopropyl)methyl]-2-nitropyridin-3-amine?
The InChIKey is GEMPSVGDSVJGRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c1-7-5-8(7)6-12-9-3-2-4-11-10(9)13(14)15/h2-4,7-8,12H,5-6H2,1H3.
What are the key properties of N-[(2-methylcyclopropyl)methyl]-2-nitropyridin-3-amine?
N-[(2-methylcyclopropyl)methyl]-2-nitropyridin-3-amine has a molecular weight of 207.23 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylcyclopropyl)methyl]-2-nitropyridin-3-amine is sourced from PubChem (CID 115586099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).