formic acid;N-(2-methoxyethyl)-6-methyl-3-nitropyridin-2-amine

C10H15N3O5 — CID 175490837

IUPACformic acid;N-(2-methoxyethyl)-6-methyl-3-nitropyridin-2-amine
SMILESCOCCNc1nc(C)ccc1[N+](=O)[O-].O=CO
InChIInChI=1S/C9H13N3O3.CH2O2/c1-7-3-4-8(12(13)14)9(11-7)10-5-6-15-2;2-1-3/h3-4H,5-6H2,1-2H3,(H,10,11);1H,(H,2,3)
InChIKeyODRKOKBERRMVJV-UHFFFAOYSA-N
MW257.25 g/mol
LogP1.06
Rot. Bonds5

About formic acid;N-(2-methoxyethyl)-6-methyl-3-nitropyridin-2-amine

formic acid;N-(2-methoxyethyl)-6-methyl-3-nitropyridin-2-amine (PubChem CID 175490837) has the molecular formula C10H15N3O5 and a molecular weight of 257.25 g/mol. Its IUPAC name is formic acid;N-(2-methoxyethyl)-6-methyl-3-nitropyridin-2-amine.

Molecular Properties

Compound Nameformic acid;N-(2-methoxyethyl)-6-methyl-3-nitropyridin-2-amine
PubChem CID175490837
Molecular FormulaC10H15N3O5
Molecular Weight257.25 g/mol
Exact Mass257.10
IUPAC Nameformic acid;N-(2-methoxyethyl)-6-methyl-3-nitropyridin-2-amine
SMILESCOCCNc1nc(C)ccc1[N+](=O)[O-].O=CO
InChIInChI=1S/C9H13N3O3.CH2O2/c1-7-3-4-8(12(13)14)9(11-7)10-5-6-15-2;2-1-3/h3-4H,5-6H2,1-2H3,(H,10,11);1H,(H,2,3)
InChIKeyODRKOKBERRMVJV-UHFFFAOYSA-N
XLogP1.06
TPSA114.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze formic acid;N-(2-methoxyethyl)-6-methyl-3-nitropyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(cyclopropylmethyl)-6-methyl-3-nitropyridin-2-amine;formic acid
CID 175490829
6-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]-3-nitropyridin-2-amine
CID 115715261
N-(2-cyclopentyloxyethyl)-6-methyl-3-nitropyridin-2-amine
CID 81138260
6-[(6-methyl-3-nitro-2-pyridinyl)amino]hexan-1-ol
CID 103918195
N-[3-(cyclopropylmethoxy)propyl]-6-methyl-3-nitropyridin-2-amine
CID 103779538
6-chloro-N-(3-methoxypropyl)-3-nitropyridin-2-amine
CID 43153390
6-methyl-N-(2-methylpropyl)-3-nitropyridin-2-amine
CID 81138941
N-tert-butyl-2-[(6-methyl-3-nitro-2-pyridinyl)amino]acetamide
CID 81333468
N-[2-(3,5-difluorophenyl)ethyl]-6-methyl-3-nitropyridin-2-amine
CID 81139764
2,4-dimethyl-1-[(6-methyl-3-nitro-2-pyridinyl)amino]pentan-2-ol
CID 81139120
2-[[2-[(6-methyl-3-nitro-2-pyridinyl)amino]acetyl]amino]acetic acid
CID 81131544
6-methyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-3-nitropyridin-2-amine
CID 81138577

Frequently Asked Questions

What is the IUPAC name of formic acid;N-(2-methoxyethyl)-6-methyl-3-nitropyridin-2-amine?
The IUPAC name of formic acid;N-(2-methoxyethyl)-6-methyl-3-nitropyridin-2-amine (CID 175490837) is formic acid;N-(2-methoxyethyl)-6-methyl-3-nitropyridin-2-amine.
What is the SMILES notation for formic acid;N-(2-methoxyethyl)-6-methyl-3-nitropyridin-2-amine?
The canonical SMILES for formic acid;N-(2-methoxyethyl)-6-methyl-3-nitropyridin-2-amine is COCCNc1nc(C)ccc1[N+](=O)[O-].O=CO.
What is the InChIKey of formic acid;N-(2-methoxyethyl)-6-methyl-3-nitropyridin-2-amine?
The InChIKey is ODRKOKBERRMVJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3.CH2O2/c1-7-3-4-8(12(13)14)9(11-7)10-5-6-15-2;2-1-3/h3-4H,5-6H2,1-2H3,(H,10,11);1H,(H,2,3).
What are the key properties of formic acid;N-(2-methoxyethyl)-6-methyl-3-nitropyridin-2-amine?
formic acid;N-(2-methoxyethyl)-6-methyl-3-nitropyridin-2-amine has a molecular weight of 257.25 g/mol, XLogP of 1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;N-(2-methoxyethyl)-6-methyl-3-nitropyridin-2-amine is sourced from PubChem (CID 175490837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).