N-methyl-2-nitropyridin-3-amine

C6H7N3O2 — CID 555983

IUPACN-methyl-2-nitropyridin-3-amine
SMILESCNc1cccnc1[N+](=O)[O-]
InChIInChI=1S/C6H7N3O2/c1-7-5-3-2-4-8-6(5)9(10)11/h2-4,7H,1H3
InChIKeyNCJOHCIQXAGJBV-UHFFFAOYSA-N
MW153.14 g/mol
LogP1.03
Rot. Bonds2

About N-methyl-2-nitropyridin-3-amine

N-methyl-2-nitropyridin-3-amine (PubChem CID 555983) has the molecular formula C6H7N3O2 and a molecular weight of 153.14 g/mol. Its IUPAC name is N-methyl-2-nitropyridin-3-amine.

Molecular Properties

Compound NameN-methyl-2-nitropyridin-3-amine
PubChem CID555983
Molecular FormulaC6H7N3O2
Molecular Weight153.14 g/mol
Exact Mass153.05
IUPAC NameN-methyl-2-nitropyridin-3-amine
SMILESCNc1cccnc1[N+](=O)[O-]
InChIInChI=1S/C6H7N3O2/c1-7-5-3-2-4-8-6(5)9(10)11/h2-4,7H,1H3
InChIKeyNCJOHCIQXAGJBV-UHFFFAOYSA-N
XLogP1.03
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.14
LogP ≤ 51.03
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-methyl-1-nitroimidazo[1,5-a]pyridin-8-amine
CID 83877918
(2S)-2-[(2-nitro-3-pyridinyl)amino]propan-1-ol
CID 126999846
N-methyl-3-nitropyridin-2-amine
CID 556349
N,2,2-trimethyl-3-[(2-nitro-3-pyridinyl)amino]propanamide
CID 103823304
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
N-(3,5-dimethylcyclohexyl)-2-nitropyridin-3-amine
CID 112692570
N-[(2-methylcyclopropyl)methyl]-2-nitropyridin-3-amine
CID 115586099
2-ethyl-2-[(2-nitro-3-pyridinyl)amino]butan-1-ol
CID 112697194
2-[(2-nitro-3-pyridinyl)amino]butan-1-ol
CID 115585333
2-nitro-N-[(E)-pent-3-enyl]pyridin-3-amine
CID 115628495
N-(cyclopropylmethyl)-2-nitropyridin-3-amine
CID 119030468

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-nitropyridin-3-amine?
The IUPAC name of N-methyl-2-nitropyridin-3-amine (CID 555983) is N-methyl-2-nitropyridin-3-amine.
What is the SMILES notation for N-methyl-2-nitropyridin-3-amine?
The canonical SMILES for N-methyl-2-nitropyridin-3-amine is CNc1cccnc1[N+](=O)[O-].
What is the InChIKey of N-methyl-2-nitropyridin-3-amine?
The InChIKey is NCJOHCIQXAGJBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O2/c1-7-5-3-2-4-8-6(5)9(10)11/h2-4,7H,1H3.
What are the key properties of N-methyl-2-nitropyridin-3-amine?
N-methyl-2-nitropyridin-3-amine has a molecular weight of 153.14 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-nitropyridin-3-amine is sourced from PubChem (CID 555983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).