1-[(3-chloro-5-nitro-2-pyridinyl)-ethylamino]-2-methylpropan-2-ol

C11H16ClN3O3 — CID 113238823

IUPAC1-[(3-chloro-5-nitro-2-pyridinyl)-ethylamino]-2-methylpropan-2-ol
SMILESCCN(CC(C)(C)O)c1ncc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C11H16ClN3O3/c1-4-14(7-11(2,3)16)10-9(12)5-8(6-13-10)15(17)18/h5-6,16H,4,7H2,1-3H3
InChIKeyHCAPQMWILXNQON-UHFFFAOYSA-N
MW273.72 g/mol
LogP2.24
Rot. Bonds5

About 1-[(3-chloro-5-nitro-2-pyridinyl)-ethylamino]-2-methylpropan-2-ol

1-[(3-chloro-5-nitro-2-pyridinyl)-ethylamino]-2-methylpropan-2-ol (PubChem CID 113238823) has the molecular formula C11H16ClN3O3 and a molecular weight of 273.72 g/mol. Its IUPAC name is 1-[(3-chloro-5-nitro-2-pyridinyl)-ethylamino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[(3-chloro-5-nitro-2-pyridinyl)-ethylamino]-2-methylpropan-2-ol
PubChem CID113238823
Molecular FormulaC11H16ClN3O3
Molecular Weight273.72 g/mol
Exact Mass273.09
IUPAC Name1-[(3-chloro-5-nitro-2-pyridinyl)-ethylamino]-2-methylpropan-2-ol
SMILESCCN(CC(C)(C)O)c1ncc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C11H16ClN3O3/c1-4-14(7-11(2,3)16)10-9(12)5-8(6-13-10)15(17)18/h5-6,16H,4,7H2,1-3H3
InChIKeyHCAPQMWILXNQON-UHFFFAOYSA-N
XLogP2.24
TPSA79.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.72
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[(3-chloro-5-nitro-2-pyridinyl)-ethylamino]-2-methylpropan-2-ol 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'-ethyl-2,2-dimethyl-N'-(3-methyl-5-nitro-2-pyridinyl)propane-1,3-diamine
CID 79662020
1-(5-chloro-N-ethyl-2-methyl-4-nitroanilino)-2-methylpropan-2-ol
CID 115556218
1-(4-chloro-N-ethyl-2-nitroanilino)-2-methylpropan-2-ol
CID 79389494
tert-butyl N-[3-chloro-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-(3-chloro-5-nitro-2-pyridinyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 160630179
1-(N-ethyl-3-nitro-5-propoxyanilino)-2-methylpropan-2-ol
CID 80743991
2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-5-nitrobenzonitrile
CID 78962154
3-chloro-N-[(1S,3R)-3-ethoxy-2,2-dimethylcyclobutyl]-N-methyl-5-nitropyridin-2-amine
CID 99810442
1-[(3-chloro-5-nitro-2-pyridinyl)amino]-2,3-dimethylpentan-2-ol
CID 133309984
2-[ethyl(2-hydroxyethyl)amino]-5-nitropyridine-3-carbonitrile
CID 60678518
3-chloro-N-(2-methylpentan-2-yl)-5-nitropyridin-2-amine
CID 113238793
2-[ethyl(2-methylprop-2-enyl)amino]-5-nitropyridine-3-carboxylic acid
CID 114046662
3-[(3-chloro-5-nitro-2-pyridinyl)amino]-2,2-difluoropropan-1-ol
CID 113462858

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chloro-5-nitro-2-pyridinyl)-ethylamino]-2-methylpropan-2-ol?
The IUPAC name of 1-[(3-chloro-5-nitro-2-pyridinyl)-ethylamino]-2-methylpropan-2-ol (CID 113238823) is 1-[(3-chloro-5-nitro-2-pyridinyl)-ethylamino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[(3-chloro-5-nitro-2-pyridinyl)-ethylamino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[(3-chloro-5-nitro-2-pyridinyl)-ethylamino]-2-methylpropan-2-ol is CCN(CC(C)(C)O)c1ncc([N+](=O)[O-])cc1Cl.
What is the InChIKey of 1-[(3-chloro-5-nitro-2-pyridinyl)-ethylamino]-2-methylpropan-2-ol?
The InChIKey is HCAPQMWILXNQON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O3/c1-4-14(7-11(2,3)16)10-9(12)5-8(6-13-10)15(17)18/h5-6,16H,4,7H2,1-3H3.
What are the key properties of 1-[(3-chloro-5-nitro-2-pyridinyl)-ethylamino]-2-methylpropan-2-ol?
1-[(3-chloro-5-nitro-2-pyridinyl)-ethylamino]-2-methylpropan-2-ol has a molecular weight of 273.72 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chloro-5-nitro-2-pyridinyl)-ethylamino]-2-methylpropan-2-ol is sourced from PubChem (CID 113238823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).