4-chloro-3-nitropyridine;cyclopropanamine;1-cyclopropyl-3H-imidazo[4,5-c]pyridin-2-one;N-cyclopropyl-3-nitropyridin-4-amine;4-N-cyclopropylpyridine-3,4-diamine;ethanol

C35H45ClN12O6 — CID 158937382

IUPAC4-chloro-3-nitropyridine;cyclopropanamine;1-cyclopropyl-3H-imidazo[4,5-c]pyridin-2-one;N-cyclopropyl-3-nitropyridin-4-amine;4-N-cyclopropylpyridine-3,4-diamine;ethanol
SMILESCCO.NC1CC1.Nc1cnccc1NC1CC1.O=[N+]([O-])c1cnccc1Cl.O=[N+]([O-])c1cnccc1NC1CC1.O=c1[nH]c2cnccc2n1C1CC1
InChIInChI=1S/C9H9N3O.C8H9N3O2.C8H11N3.C5H3ClN2O2.C3H7N.C2H6O/c13-9-11-7-5-10-4-3-8(7)12(9)6-1-2-6;12-11(13)8-5-9-4-3-7(8)10-6-1-2-6;9-7-5-10-4-3-8(7)11-6-1-2-6;6-4-1-2-7-3-5(4)8(9)10;4-3-1-2-3;1-2-3/h3-6H,1-2H2,(H,11,13);3-6H,1-2H2,(H,9,10);3-6H,1-2,9H2,(H,10,11);1-3H;3H,1-2,4H2;3H,2H2,1H3
InChIKeyJJUYREXHSDRUKX-UHFFFAOYSA-N
MW765.28 g/mol
LogP5.61
Rot. Bonds7

About 4-chloro-3-nitropyridine;cyclopropanamine;1-cyclopropyl-3H-imidazo[4,5-c]pyridin-2-one;N-cyclopropyl-3-nitropyridin-4-amine;4-N-cyclopropylpyridine-3,4-diamine;ethanol

4-chloro-3-nitropyridine;cyclopropanamine;1-cyclopropyl-3H-imidazo[4,5-c]pyridin-2-one;N-cyclopropyl-3-nitropyridin-4-amine;4-N-cyclopropylpyridine-3,4-diamine;ethanol (PubChem CID 158937382) has the molecular formula C35H45ClN12O6 and a molecular weight of 765.28 g/mol. Its IUPAC name is 4-chloro-3-nitropyridine;cyclopropanamine;1-cyclopropyl-3H-imidazo[4,5-c]pyridin-2-one;N-cyclopropyl-3-nitropyridin-4-amine;4-N-cyclopropylpyridine-3,4-diamine;ethanol.

Molecular Properties

Compound Name4-chloro-3-nitropyridine;cyclopropanamine;1-cyclopropyl-3H-imidazo[4,5-c]pyridin-2-one;N-cyclopropyl-3-nitropyridin-4-amine;4-N-cyclopropylpyridine-3,4-diamine;ethanol
PubChem CID158937382
Molecular FormulaC35H45ClN12O6
Molecular Weight765.28 g/mol
Exact Mass764.33
IUPAC Name4-chloro-3-nitropyridine;cyclopropanamine;1-cyclopropyl-3H-imidazo[4,5-c]pyridin-2-one;N-cyclopropyl-3-nitropyridin-4-amine;4-N-cyclopropylpyridine-3,4-diamine;ethanol
SMILESCCO.NC1CC1.Nc1cnccc1NC1CC1.O=[N+]([O-])c1cnccc1Cl.O=[N+]([O-])c1cnccc1NC1CC1.O=c1[nH]c2cnccc2n1C1CC1
InChIInChI=1S/C9H9N3O.C8H9N3O2.C8H11N3.C5H3ClN2O2.C3H7N.C2H6O/c13-9-11-7-5-10-4-3-8(7)12(9)6-1-2-6;12-11(13)8-5-9-4-3-7(8)10-6-1-2-6;9-7-5-10-4-3-8(7)11-6-1-2-6;6-4-1-2-7-3-5(4)8(9)10;4-3-1-2-3;1-2-3/h3-6H,1-2H2,(H,11,13);3-6H,1-2H2,(H,9,10);3-6H,1-2,9H2,(H,10,11);1-3H;3H,1-2,4H2;3H,2H2,1H3
InChIKeyJJUYREXHSDRUKX-UHFFFAOYSA-N
XLogP5.61
TPSA271.96 Ų
H-Bond Donors6
H-Bond Acceptors15
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500765.28
LogP ≤ 55.61
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze 4-chloro-3-nitropyridine;cyclopropanamine;1-cyclopropyl-3H-imidazo[4,5-c]pyridin-2-one;N-cyclopropyl-3-nitropyridin-4-amine;4-N-cyclopropylpyridine-3,4-diamine;ethanol with MolForge

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Related Compounds

4-N-(3-nitro-4-pyridinyl)cyclohexane-1,4-diamine
CID 62318502
acetonitrile;4-chloro-3-nitropyridine;methanol;N-(3-nitro-4-pyridinyl)pyrimidin-4-amine;pyrimidin-4-amine;1-pyrimidin-4-yl-3H-imidazo[4,5-c]pyridin-2-one;4-N-pyrimidin-4-ylpyridine-3,4-diamine
CID 161461986
ethyl 4-[(3-nitro-4-pyridinyl)amino]piperidine-1-carboxylate
CID 23374509
3-nitro-N-piperidin-4-ylpyridin-4-amine
CID 43167668
acetonitrile;4-chloro-3-nitropyridine;deuterio(iodo)methane;methane;methanol;N-(3-nitro-4-pyridinyl)-1,3-thiazol-2-amine;1,3-thiazol-2-amine;1-(1,3-thiazol-2-yl)-3H-imidazo[4,5-c]pyridin-2-one;4-N-(1,3-thiazol-2-yl)pyridine-3,4-diamine
CID 158740977
methyl 4-[(3-nitro-4-pyridinyl)amino]piperidine-1-carboxylate
CID 59465527
1-piperidin-4-yl-3H-imidazo[4,5-c]pyridin-2-one;hydrobromide
CID 122236400
5-[(3-nitro-4-pyridinyl)amino]piperidin-2-one
CID 63318938
4-[(3-amino-4-pyridinyl)amino]piperidine-1-carboxylic acid
CID 143481512
tert-butyl 3-[(3-nitro-4-pyridinyl)amino]pyrrolidine-1-carboxylate
CID 129032001
4-chloro-N-(4-ethylcyclohexyl)pyridin-3-amine
CID 83167830
3-(4-aminocyclohexyl)-6-chloro-1H-benzimidazol-2-one;hydrochloride
CID 118292535

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-nitropyridine;cyclopropanamine;1-cyclopropyl-3H-imidazo[4,5-c]pyridin-2-one;N-cyclopropyl-3-nitropyridin-4-amine;4-N-cyclopropylpyridine-3,4-diamine;ethanol?
The IUPAC name of 4-chloro-3-nitropyridine;cyclopropanamine;1-cyclopropyl-3H-imidazo[4,5-c]pyridin-2-one;N-cyclopropyl-3-nitropyridin-4-amine;4-N-cyclopropylpyridine-3,4-diamine;ethanol (CID 158937382) is 4-chloro-3-nitropyridine;cyclopropanamine;1-cyclopropyl-3H-imidazo[4,5-c]pyridin-2-one;N-cyclopropyl-3-nitropyridin-4-amine;4-N-cyclopropylpyridine-3,4-diamine;ethanol.
What is the SMILES notation for 4-chloro-3-nitropyridine;cyclopropanamine;1-cyclopropyl-3H-imidazo[4,5-c]pyridin-2-one;N-cyclopropyl-3-nitropyridin-4-amine;4-N-cyclopropylpyridine-3,4-diamine;ethanol?
The canonical SMILES for 4-chloro-3-nitropyridine;cyclopropanamine;1-cyclopropyl-3H-imidazo[4,5-c]pyridin-2-one;N-cyclopropyl-3-nitropyridin-4-amine;4-N-cyclopropylpyridine-3,4-diamine;ethanol is CCO.NC1CC1.Nc1cnccc1NC1CC1.O=[N+]([O-])c1cnccc1Cl.O=[N+]([O-])c1cnccc1NC1CC1.O=c1[nH]c2cnccc2n1C1CC1.
What is the InChIKey of 4-chloro-3-nitropyridine;cyclopropanamine;1-cyclopropyl-3H-imidazo[4,5-c]pyridin-2-one;N-cyclopropyl-3-nitropyridin-4-amine;4-N-cyclopropylpyridine-3,4-diamine;ethanol?
The InChIKey is JJUYREXHSDRUKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O.C8H9N3O2.C8H11N3.C5H3ClN2O2.C3H7N.C2H6O/c13-9-11-7-5-10-4-3-8(7)12(9)6-1-2-6;12-11(13)8-5-9-4-3-7(8)10-6-1-2-6;9-7-5-10-4-3-8(7)11-6-1-2-6;6-4-1-2-7-3-5(4)8(9)10;4-3-1-2-3;1-2-3/h3-6H,1-2H2,(H,11,13);3-6H,1-2H2,(H,9,10);3-6H,1-2,9H2,(H,10,11);1-3H;3H,1-2,4H2;3H,2H2,1H3.
What are the key properties of 4-chloro-3-nitropyridine;cyclopropanamine;1-cyclopropyl-3H-imidazo[4,5-c]pyridin-2-one;N-cyclopropyl-3-nitropyridin-4-amine;4-N-cyclopropylpyridine-3,4-diamine;ethanol?
4-chloro-3-nitropyridine;cyclopropanamine;1-cyclopropyl-3H-imidazo[4,5-c]pyridin-2-one;N-cyclopropyl-3-nitropyridin-4-amine;4-N-cyclopropylpyridine-3,4-diamine;ethanol has a molecular weight of 765.28 g/mol, XLogP of 5.61, 7 rotatable bonds, 6 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-nitropyridine;cyclopropanamine;1-cyclopropyl-3H-imidazo[4,5-c]pyridin-2-one;N-cyclopropyl-3-nitropyridin-4-amine;4-N-cyclopropylpyridine-3,4-diamine;ethanol is sourced from PubChem (CID 158937382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).