N-[(4-nitro-2-pyridinyl)methyl]ethanamine

C8H11N3O2 — CID 91754303

IUPACN-[(4-nitro-2-pyridinyl)methyl]ethanamine
SMILESCCNCc1cc([N+](=O)[O-])ccn1
InChIInChI=1S/C8H11N3O2/c1-2-9-6-7-5-8(11(12)13)3-4-10-7/h3-5,9H,2,6H2,1H3
InChIKeyCMOJRXXZENNMQT-UHFFFAOYSA-N
MW181.19 g/mol
LogP1.10
Rot. Bonds4

About N-[(4-nitro-2-pyridinyl)methyl]ethanamine

N-[(4-nitro-2-pyridinyl)methyl]ethanamine (PubChem CID 91754303) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is N-[(4-nitro-2-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-nitro-2-pyridinyl)methyl]ethanamine
PubChem CID91754303
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC NameN-[(4-nitro-2-pyridinyl)methyl]ethanamine
SMILESCCNCc1cc([N+](=O)[O-])ccn1
InChIInChI=1S/C8H11N3O2/c1-2-9-6-7-5-8(11(12)13)3-4-10-7/h3-5,9H,2,6H2,1H3
InChIKeyCMOJRXXZENNMQT-UHFFFAOYSA-N
XLogP1.10
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 51.10
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'}

Analyze N-[(4-nitro-2-pyridinyl)methyl]ethanamine 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

(4-nitro-2-pyridinyl)methanamine;dihydrochloride
CID 131844591
N-ethyl-3,3-dimethyl-1-(4-nitro-2-pyridinyl)butan-2-amine
CID 63201814
(4-nitro-2-pyridinyl)methyl acetate
CID 14761430
1-[(4-nitro-2-pyridinyl)amino]butan-2-one
CID 159524521
N-[2-(4-nitro-2-pyridinyl)-1-phenylethyl]propan-1-amine
CID 63199442
N-[[2-(2-nitrophenyl)pyrimidin-4-yl]methyl]ethanamine
CID 62748621
2-ethyl-2-[(4-nitro-2-pyridinyl)amino]propane-1,3-diol
CID 107866257
N-[(2-butoxy-5-nitrophenyl)methyl]ethanamine
CID 43472693
N-[[5-nitro-2-(1,3-thiazol-4-ylmethoxy)phenyl]methyl]ethanamine
CID 60890172
N-[[3-methyl-1-(3-nitrophenyl)pyrazol-4-yl]methyl]ethanamine
CID 84615276
N-[[1-[2-(4-nitrophenyl)ethyl]imidazol-4-yl]methyl]ethanamine
CID 106718792
N-[[2-(ethoxymethoxy)-5-nitrophenyl]methyl]ethanamine
CID 65369396

Frequently Asked Questions

What is the IUPAC name of N-[(4-nitro-2-pyridinyl)methyl]ethanamine?
The IUPAC name of N-[(4-nitro-2-pyridinyl)methyl]ethanamine (CID 91754303) is N-[(4-nitro-2-pyridinyl)methyl]ethanamine.
What is the SMILES notation for N-[(4-nitro-2-pyridinyl)methyl]ethanamine?
The canonical SMILES for N-[(4-nitro-2-pyridinyl)methyl]ethanamine is CCNCc1cc([N+](=O)[O-])ccn1.
What is the InChIKey of N-[(4-nitro-2-pyridinyl)methyl]ethanamine?
The InChIKey is CMOJRXXZENNMQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-2-9-6-7-5-8(11(12)13)3-4-10-7/h3-5,9H,2,6H2,1H3.
What are the key properties of N-[(4-nitro-2-pyridinyl)methyl]ethanamine?
N-[(4-nitro-2-pyridinyl)methyl]ethanamine has a molecular weight of 181.19 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-nitro-2-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 91754303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).