2-chloro-5-nitropyridine;2-(2-methylimidazol-1-yl)-5-nitropyridine;6-(2-methylimidazol-1-yl)pyridin-3-amine

C23H21ClN10O4 — CID 159002317

IUPAC2-chloro-5-nitropyridine;2-(2-methylimidazol-1-yl)-5-nitropyridine;6-(2-methylimidazol-1-yl)pyridin-3-amine
SMILESCc1nccn1-c1ccc(N)cn1.Cc1nccn1-c1ccc([N+](=O)[O-])cn1.O=[N+]([O-])c1ccc(Cl)nc1
InChIInChI=1S/C9H8N4O2.C9H10N4.C5H3ClN2O2/c1-7-10-4-5-12(7)9-3-2-8(6-11-9)13(14)15;1-7-11-4-5-13(7)9-3-2-8(10)6-12-9;6-5-2-1-4(3-7-5)8(9)10/h2-6H,1H3;2-6H,10H2,1H3;1-3H
InChIKeyJRMIDJOWAASJMK-UHFFFAOYSA-N
MW536.94 g/mol
LogP4.29
Rot. Bonds4

About 2-chloro-5-nitropyridine;2-(2-methylimidazol-1-yl)-5-nitropyridine;6-(2-methylimidazol-1-yl)pyridin-3-amine

2-chloro-5-nitropyridine;2-(2-methylimidazol-1-yl)-5-nitropyridine;6-(2-methylimidazol-1-yl)pyridin-3-amine (PubChem CID 159002317) has the molecular formula C23H21ClN10O4 and a molecular weight of 536.94 g/mol. Its IUPAC name is 2-chloro-5-nitropyridine;2-(2-methylimidazol-1-yl)-5-nitropyridine;6-(2-methylimidazol-1-yl)pyridin-3-amine.

Molecular Properties

Compound Name2-chloro-5-nitropyridine;2-(2-methylimidazol-1-yl)-5-nitropyridine;6-(2-methylimidazol-1-yl)pyridin-3-amine
PubChem CID159002317
Molecular FormulaC23H21ClN10O4
Molecular Weight536.94 g/mol
Exact Mass536.14
IUPAC Name2-chloro-5-nitropyridine;2-(2-methylimidazol-1-yl)-5-nitropyridine;6-(2-methylimidazol-1-yl)pyridin-3-amine
SMILESCc1nccn1-c1ccc(N)cn1.Cc1nccn1-c1ccc([N+](=O)[O-])cn1.O=[N+]([O-])c1ccc(Cl)nc1
InChIInChI=1S/C9H8N4O2.C9H10N4.C5H3ClN2O2/c1-7-10-4-5-12(7)9-3-2-8(6-11-9)13(14)15;1-7-11-4-5-13(7)9-3-2-8(10)6-12-9;6-5-2-1-4(3-7-5)8(9)10/h2-6H,1H3;2-6H,10H2,1H3;1-3H
InChIKeyJRMIDJOWAASJMK-UHFFFAOYSA-N
XLogP4.29
TPSA186.61 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.94
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-chloro-5-nitropyridine;2-(2-methylimidazol-1-yl)-5-nitropyridine;6-(2-methylimidazol-1-yl)pyridin-3-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'-[4-(2-chlorophenyl)-5-imidazol-1-ylpyrimidin-2-yl]-N-(5-nitro-2-pyridinyl)ethane-1,2-diamine
CID 18334999
4-(4-Chloro-1-ethyl-1H-imidazo[4,5-c]pyridin-2-yl)-furazan-3-ylamine
CID 44397146
N'-[4-(4-chlorophenyl)-5-imidazol-1-ylpyrimidin-2-yl]-N-(5-nitro-2-pyridinyl)ethane-1,2-diamine
CID 137653777
6-Chloro-2-[4-methyl-2-(3,3,3-trifluoro-propyl)-imidazol-1-yl]-3-nitro-pyridine
CID 86630786
6-chloro-2-[4-methyl-2-(3,3,3-trifluoropropyl)imidazol-1-yl]-3-nitropyridine;5-methyl-2-(3,3,3-trifluoropropyl)-1H-imidazole
CID 157932938
4-[1-[(6-Chloro-3-pyridinyl)methyl]-6-fluoroimidazo[4,5-b]pyridin-2-yl]-1,2,5-oxadiazol-3-amine
CID 164861693
4-[3-[(6-Chloro-3-pyridinyl)methyl]-6-fluoroimidazo[4,5-b]pyridin-2-yl]-1,2,5-oxadiazol-3-amine
CID 164861723
N-(5-chloro-2-pyridinyl)-6-[4-(2-fluorophenyl)piperazin-1-yl]-5-nitropyrimidin-4-amine
CID 22531239
N-(5-chloro-2-pyridinyl)-6-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitropyrimidin-4-amine
CID 22531240
N-(3-chloro-4-fluorophenyl)-5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 22537873
N-(2-chloro-3-pyridinyl)-6-[4-(2-fluorophenyl)piperazin-1-yl]-5-nitropyrimidin-4-amine
CID 22538474
N-(2-chloro-3-pyridinyl)-6-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitropyrimidin-4-amine
CID 22538511

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-nitropyridine;2-(2-methylimidazol-1-yl)-5-nitropyridine;6-(2-methylimidazol-1-yl)pyridin-3-amine?
The IUPAC name of 2-chloro-5-nitropyridine;2-(2-methylimidazol-1-yl)-5-nitropyridine;6-(2-methylimidazol-1-yl)pyridin-3-amine (CID 159002317) is 2-chloro-5-nitropyridine;2-(2-methylimidazol-1-yl)-5-nitropyridine;6-(2-methylimidazol-1-yl)pyridin-3-amine.
What is the SMILES notation for 2-chloro-5-nitropyridine;2-(2-methylimidazol-1-yl)-5-nitropyridine;6-(2-methylimidazol-1-yl)pyridin-3-amine?
The canonical SMILES for 2-chloro-5-nitropyridine;2-(2-methylimidazol-1-yl)-5-nitropyridine;6-(2-methylimidazol-1-yl)pyridin-3-amine is Cc1nccn1-c1ccc(N)cn1.Cc1nccn1-c1ccc([N+](=O)[O-])cn1.O=[N+]([O-])c1ccc(Cl)nc1.
What is the InChIKey of 2-chloro-5-nitropyridine;2-(2-methylimidazol-1-yl)-5-nitropyridine;6-(2-methylimidazol-1-yl)pyridin-3-amine?
The InChIKey is JRMIDJOWAASJMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O2.C9H10N4.C5H3ClN2O2/c1-7-10-4-5-12(7)9-3-2-8(6-11-9)13(14)15;1-7-11-4-5-13(7)9-3-2-8(10)6-12-9;6-5-2-1-4(3-7-5)8(9)10/h2-6H,1H3;2-6H,10H2,1H3;1-3H.
What are the key properties of 2-chloro-5-nitropyridine;2-(2-methylimidazol-1-yl)-5-nitropyridine;6-(2-methylimidazol-1-yl)pyridin-3-amine?
2-chloro-5-nitropyridine;2-(2-methylimidazol-1-yl)-5-nitropyridine;6-(2-methylimidazol-1-yl)pyridin-3-amine has a molecular weight of 536.94 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-nitropyridine;2-(2-methylimidazol-1-yl)-5-nitropyridine;6-(2-methylimidazol-1-yl)pyridin-3-amine is sourced from PubChem (CID 159002317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).