3-tert-butyl-5-chloroimidazo[4,5-b]pyridine;N-tert-butyl-6-chloro-3-nitropyridin-2-amine;2-N-tert-butyl-6-chloropyridine-2,3-diamine;2,6-dichloro-3-nitropyridine;2-methylpropan-2-amine

C37H51Cl5N12O4 — CID 159267286

IUPAC3-tert-butyl-5-chloroimidazo[4,5-b]pyridine;N-tert-butyl-6-chloro-3-nitropyridin-2-amine;2-N-tert-butyl-6-chloropyridine-2,3-diamine;2,6-dichloro-3-nitropyridine;2-methylpropan-2-amine
SMILESCC(C)(C)N.CC(C)(C)Nc1nc(Cl)ccc1N.CC(C)(C)Nc1nc(Cl)ccc1[N+](=O)[O-].CC(C)(C)n1cnc2ccc(Cl)nc21.O=[N+]([O-])c1ccc(Cl)nc1Cl
InChIInChI=1S/C10H12ClN3.C9H12ClN3O2.C9H14ClN3.C5H2Cl2N2O2.C4H11N/c1-10(2,3)14-6-12-7-4-5-8(11)13-9(7)14;1-9(2,3)12-8-6(13(14)15)4-5-7(10)11-8;1-9(2,3)13-8-6(11)4-5-7(10)12-8;6-4-2-1-3(9(10)11)5(7)8-4;1-4(2,3)5/h4-6H,1-3H3;4-5H,1-3H3,(H,11,12);4-5H,11H2,1-3H3,(H,12,13);1-2H;5H2,1-3H3
InChIKeyKXGNYTKYNSFELV-UHFFFAOYSA-N
MW905.16 g/mol
LogP11.26
Rot. Bonds4

About 3-tert-butyl-5-chloroimidazo[4,5-b]pyridine;N-tert-butyl-6-chloro-3-nitropyridin-2-amine;2-N-tert-butyl-6-chloropyridine-2,3-diamine;2,6-dichloro-3-nitropyridine;2-methylpropan-2-amine

3-tert-butyl-5-chloroimidazo[4,5-b]pyridine;N-tert-butyl-6-chloro-3-nitropyridin-2-amine;2-N-tert-butyl-6-chloropyridine-2,3-diamine;2,6-dichloro-3-nitropyridine;2-methylpropan-2-amine (PubChem CID 159267286) has the molecular formula C37H51Cl5N12O4 and a molecular weight of 905.16 g/mol. Its IUPAC name is 3-tert-butyl-5-chloroimidazo[4,5-b]pyridine;N-tert-butyl-6-chloro-3-nitropyridin-2-amine;2-N-tert-butyl-6-chloropyridine-2,3-diamine;2,6-dichloro-3-nitropyridine;2-methylpropan-2-amine.

Molecular Properties

Compound Name3-tert-butyl-5-chloroimidazo[4,5-b]pyridine;N-tert-butyl-6-chloro-3-nitropyridin-2-amine;2-N-tert-butyl-6-chloropyridine-2,3-diamine;2,6-dichloro-3-nitropyridine;2-methylpropan-2-amine
PubChem CID159267286
Molecular FormulaC37H51Cl5N12O4
Molecular Weight905.16 g/mol
Exact Mass902.26
IUPAC Name3-tert-butyl-5-chloroimidazo[4,5-b]pyridine;N-tert-butyl-6-chloro-3-nitropyridin-2-amine;2-N-tert-butyl-6-chloropyridine-2,3-diamine;2,6-dichloro-3-nitropyridine;2-methylpropan-2-amine
SMILESCC(C)(C)N.CC(C)(C)Nc1nc(Cl)ccc1N.CC(C)(C)Nc1nc(Cl)ccc1[N+](=O)[O-].CC(C)(C)n1cnc2ccc(Cl)nc21.O=[N+]([O-])c1ccc(Cl)nc1Cl
InChIInChI=1S/C10H12ClN3.C9H12ClN3O2.C9H14ClN3.C5H2Cl2N2O2.C4H11N/c1-10(2,3)14-6-12-7-4-5-8(11)13-9(7)14;1-9(2,3)12-8-6(13(14)15)4-5-7(10)11-8;1-9(2,3)13-8-6(11)4-5-7(10)12-8;6-4-2-1-3(9(10)11)5(7)8-4;1-4(2,3)5/h4-6H,1-3H3;4-5H,1-3H3,(H,11,12);4-5H,11H2,1-3H3,(H,12,13);1-2H;5H2,1-3H3
InChIKeyKXGNYTKYNSFELV-UHFFFAOYSA-N
XLogP11.26
TPSA231.76 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500905.16
LogP ≤ 511.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

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'}

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Related Compounds

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CID 157327303
5-chloro-3-ethylimidazo[4,5-b]pyridin-2-amine;6-chloro-N-ethyl-3-nitropyridin-2-amine;6-chloro-2-N-ethylpyridine-2,3-diamine
CID 157693854
1-benzyl-2-butyl-4-chloroimidazo[4,5-c]pyridine;N-benzyl-2-chloro-3-nitropyridin-4-amine;N-benzyl-2-chloro-5-nitropyridin-4-amine;4-N-benzyl-2-chloropyridine-3,4-diamine;4-N-benzyl-6-chloropyridine-3,4-diamine;2-chloro-3-nitropyridin-4-amine;2-chloro-5-nitropyridin-4-amine;2-chloropyridin-4-amine
CID 157969614
6-chloro-2-methyl-3-nitropyridine;6-N-cyclohexyl-2-N-(2-methyl-6-morpholin-4-yl-3-pyridinyl)-7H-purine-2,6-diamine;methane;2-methyl-6-morpholin-4-ylpyridin-3-amine
CID 158434129
2-Chloro-5-nitropyridine;2-(2-methylimidazol-1-yl)-5-nitropyridine;6-(2-methylimidazol-1-yl)pyridin-3-amine
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N-[4-(1-aminocyclobutyl)phenyl]-6-chloro-3-nitropyridin-2-amine;5-[3-[4-(1-aminocyclobutyl)phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]-6-chloropyrimidin-4-amine
CID 159415608
7-chloro-5-iodo-3-(trideuteriomethyl)imidazo[4,5-b]pyridine;4-chloro-6-iodo-2-N-(trideuteriomethyl)pyridine-2,3-diamine;2,4-dichloro-6-iodopyridin-3-amine;2,4-dichloropyridin-3-amine
CID 159818556
7-chloro-5-iodo-3-methylimidazo[4,5-b]pyridine;4-chloro-6-iodo-2-N-methylpyridine-2,3-diamine;2,4-dichloro-6-iodopyridin-3-amine;2,4-dichloropyridin-3-amine
CID 159818557
chloromethylidene(dimethyl)azanium;6-chloro-1-methylimidazo[4,5-c]pyridine;2-chloro-N-methyl-5-nitropyridin-4-amine;6-chloro-4-N-methylpyridine-3,4-diamine;4-chloro-3-nitropyridine;4-chloro-5-nitro-1H-pyridin-2-one;2,4-dichloro-5-nitropyridine;chloride
CID 159890259

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-chloroimidazo[4,5-b]pyridine;N-tert-butyl-6-chloro-3-nitropyridin-2-amine;2-N-tert-butyl-6-chloropyridine-2,3-diamine;2,6-dichloro-3-nitropyridine;2-methylpropan-2-amine?
The IUPAC name of 3-tert-butyl-5-chloroimidazo[4,5-b]pyridine;N-tert-butyl-6-chloro-3-nitropyridin-2-amine;2-N-tert-butyl-6-chloropyridine-2,3-diamine;2,6-dichloro-3-nitropyridine;2-methylpropan-2-amine (CID 159267286) is 3-tert-butyl-5-chloroimidazo[4,5-b]pyridine;N-tert-butyl-6-chloro-3-nitropyridin-2-amine;2-N-tert-butyl-6-chloropyridine-2,3-diamine;2,6-dichloro-3-nitropyridine;2-methylpropan-2-amine.
What is the SMILES notation for 3-tert-butyl-5-chloroimidazo[4,5-b]pyridine;N-tert-butyl-6-chloro-3-nitropyridin-2-amine;2-N-tert-butyl-6-chloropyridine-2,3-diamine;2,6-dichloro-3-nitropyridine;2-methylpropan-2-amine?
The canonical SMILES for 3-tert-butyl-5-chloroimidazo[4,5-b]pyridine;N-tert-butyl-6-chloro-3-nitropyridin-2-amine;2-N-tert-butyl-6-chloropyridine-2,3-diamine;2,6-dichloro-3-nitropyridine;2-methylpropan-2-amine is CC(C)(C)N.CC(C)(C)Nc1nc(Cl)ccc1N.CC(C)(C)Nc1nc(Cl)ccc1[N+](=O)[O-].CC(C)(C)n1cnc2ccc(Cl)nc21.O=[N+]([O-])c1ccc(Cl)nc1Cl.
What is the InChIKey of 3-tert-butyl-5-chloroimidazo[4,5-b]pyridine;N-tert-butyl-6-chloro-3-nitropyridin-2-amine;2-N-tert-butyl-6-chloropyridine-2,3-diamine;2,6-dichloro-3-nitropyridine;2-methylpropan-2-amine?
The InChIKey is KXGNYTKYNSFELV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3.C9H12ClN3O2.C9H14ClN3.C5H2Cl2N2O2.C4H11N/c1-10(2,3)14-6-12-7-4-5-8(11)13-9(7)14;1-9(2,3)12-8-6(13(14)15)4-5-7(10)11-8;1-9(2,3)13-8-6(11)4-5-7(10)12-8;6-4-2-1-3(9(10)11)5(7)8-4;1-4(2,3)5/h4-6H,1-3H3;4-5H,1-3H3,(H,11,12);4-5H,11H2,1-3H3,(H,12,13);1-2H;5H2,1-3H3.
What are the key properties of 3-tert-butyl-5-chloroimidazo[4,5-b]pyridine;N-tert-butyl-6-chloro-3-nitropyridin-2-amine;2-N-tert-butyl-6-chloropyridine-2,3-diamine;2,6-dichloro-3-nitropyridine;2-methylpropan-2-amine?
3-tert-butyl-5-chloroimidazo[4,5-b]pyridine;N-tert-butyl-6-chloro-3-nitropyridin-2-amine;2-N-tert-butyl-6-chloropyridine-2,3-diamine;2,6-dichloro-3-nitropyridine;2-methylpropan-2-amine has a molecular weight of 905.16 g/mol, XLogP of 11.26, 4 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-chloroimidazo[4,5-b]pyridine;N-tert-butyl-6-chloro-3-nitropyridin-2-amine;2-N-tert-butyl-6-chloropyridine-2,3-diamine;2,6-dichloro-3-nitropyridine;2-methylpropan-2-amine is sourced from PubChem (CID 159267286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).