2-[(5-amino-2-pyridinyl)amino]ethanol;2-chloro-5-nitropyridine;4-[2-(3,4-difluorophenyl)-5-methylpyrazol-3-yl]-1-[6-(2-hydroxyethylamino)-3-pyridinyl]butan-2-one;[2-(3,4-difluorophenyl)-5-methylpyrazol-3-yl]methanamine;1-[6-(2-hydroxyethylamino)-3-pyridinyl]propan-2-one;2-[(5-nitro-2-pyridinyl)amino]ethanol;hydrochloride

C61H71Cl2F4N17O10 — CID 157461240

IUPAC2-[(5-amino-2-pyridinyl)amino]ethanol;2-chloro-5-nitropyridine;4-[2-(3,4-difluorophenyl)-5-methylpyrazol-3-yl]-1-[6-(2-hydroxyethylamino)-3-pyridinyl]butan-2-one;[2-(3,4-difluorophenyl)-5-methylpyrazol-3-yl]methanamine;1-[6-(2-hydroxyethylamino)-3-pyridinyl]propan-2-one;2-[(5-nitro-2-pyridinyl)amino]ethanol;hydrochloride
SMILESCC(=O)Cc1ccc(NCCO)nc1.Cc1cc(CCC(=O)Cc2ccc(NCCO)nc2)n(-c2ccc(F)c(F)c2)n1.Cc1cc(CN)n(-c2ccc(F)c(F)c2)n1.Cl.Nc1ccc(NCCO)nc1.O=[N+]([O-])c1ccc(Cl)nc1.O=[N+]([O-])c1ccc(NCCO)nc1
InChIInChI=1S/C21H22F2N4O2.C11H11F2N3.C10H14N2O2.C7H9N3O3.C7H11N3O.C5H3ClN2O2.ClH/c1-14-10-16(27(26-14)17-4-6-19(22)20(23)12-17)3-5-18(29)11-15-2-7-21(25-13-15)24-8-9-28;1-7-4-9(6-14)16(15-7)8-2-3-10(12)11(13)5-8;1-8(14)6-9-2-3-10(12-7-9)11-4-5-13;11-4-3-8-7-2-1-6(5-9-7)10(12)13;8-6-1-2-7(10-5-6)9-3-4-11;6-5-2-1-4(3-7-5)8(9)10;/h2,4,6-7,10,12-13,28H,3,5,8-9,11H2,1H3,(H,24,25);2-5H,6,14H2,1H3;2-3,7,13H,4-6H2,1H3,(H,11,12);1-2,5,11H,3-4H2,(H,8,9);1-2,5,11H,3-4,8H2,(H,9,10);1-3H;1H
InChIKeyUKQGUODGNZZBNZ-UHFFFAOYSA-N
MW1349.25 g/mol
LogP8.06
Rot. Bonds24

About 2-[(5-amino-2-pyridinyl)amino]ethanol;2-chloro-5-nitropyridine;4-[2-(3,4-difluorophenyl)-5-methylpyrazol-3-yl]-1-[6-(2-hydroxyethylamino)-3-pyridinyl]butan-2-one;[2-(3,4-difluorophenyl)-5-methylpyrazol-3-yl]methanamine;1-[6-(2-hydroxyethylamino)-3-pyridinyl]propan-2-one;2-[(5-nitro-2-pyridinyl)amino]ethanol;hydrochloride

2-[(5-amino-2-pyridinyl)amino]ethanol;2-chloro-5-nitropyridine;4-[2-(3,4-difluorophenyl)-5-methylpyrazol-3-yl]-1-[6-(2-hydroxyethylamino)-3-pyridinyl]butan-2-one;[2-(3,4-difluorophenyl)-5-methylpyrazol-3-yl]methanamine;1-[6-(2-hydroxyethylamino)-3-pyridinyl]propan-2-one;2-[(5-nitro-2-pyridinyl)amino]ethanol;hydrochloride (PubChem CID 157461240) has the molecular formula C61H71Cl2F4N17O10 and a molecular weight of 1349.25 g/mol. Its IUPAC name is 2-[(5-amino-2-pyridinyl)amino]ethanol;2-chloro-5-nitropyridine;4-[2-(3,4-difluorophenyl)-5-methylpyrazol-3-yl]-1-[6-(2-hydroxyethylamino)-3-pyridinyl]butan-2-one;[2-(3,4-difluorophenyl)-5-methylpyrazol-3-yl]methanamine;1-[6-(2-hydroxyethylamino)-3-pyridinyl]propan-2-one;2-[(5-nitro-2-pyridinyl)amino]ethanol;hydrochloride.

Molecular Properties

Compound Name2-[(5-amino-2-pyridinyl)amino]ethanol;2-chloro-5-nitropyridine;4-[2-(3,4-difluorophenyl)-5-methylpyrazol-3-yl]-1-[6-(2-hydroxyethylamino)-3-pyridinyl]butan-2-one;[2-(3,4-difluorophenyl)-5-methylpyrazol-3-yl]methanamine;1-[6-(2-hydroxyethylamino)-3-pyridinyl]propan-2-one;2-[(5-nitro-2-pyridinyl)amino]ethanol;hydrochloride
PubChem CID157461240
Molecular FormulaC61H71Cl2F4N17O10
Molecular Weight1349.25 g/mol
Exact Mass1347.49
IUPAC Name2-[(5-amino-2-pyridinyl)amino]ethanol;2-chloro-5-nitropyridine;4-[2-(3,4-difluorophenyl)-5-methylpyrazol-3-yl]-1-[6-(2-hydroxyethylamino)-3-pyridinyl]butan-2-one;[2-(3,4-difluorophenyl)-5-methylpyrazol-3-yl]methanamine;1-[6-(2-hydroxyethylamino)-3-pyridinyl]propan-2-one;2-[(5-nitro-2-pyridinyl)amino]ethanol;hydrochloride
SMILESCC(=O)Cc1ccc(NCCO)nc1.Cc1cc(CCC(=O)Cc2ccc(NCCO)nc2)n(-c2ccc(F)c(F)c2)n1.Cc1cc(CN)n(-c2ccc(F)c(F)c2)n1.Cl.Nc1ccc(NCCO)nc1.O=[N+]([O-])c1ccc(Cl)nc1.O=[N+]([O-])c1ccc(NCCO)nc1
InChIInChI=1S/C21H22F2N4O2.C11H11F2N3.C10H14N2O2.C7H9N3O3.C7H11N3O.C5H3ClN2O2.ClH/c1-14-10-16(27(26-14)17-4-6-19(22)20(23)12-17)3-5-18(29)11-15-2-7-21(25-13-15)24-8-9-28;1-7-4-9(6-14)16(15-7)8-2-3-10(12)11(13)5-8;1-8(14)6-9-2-3-10(12-7-9)11-4-5-13;11-4-3-8-7-2-1-6(5-9-7)10(12)13;8-6-1-2-7(10-5-6)9-3-4-11;6-5-2-1-4(3-7-5)8(9)10;/h2,4,6-7,10,12-13,28H,3,5,8-9,11H2,1H3,(H,24,25);2-5H,6,14H2,1H3;2-3,7,13H,4-6H2,1H3,(H,11,12);1-2,5,11H,3-4H2,(H,8,9);1-2,5,11H,3-4,8H2,(H,9,10);1-3H;1H
InChIKeyUKQGUODGNZZBNZ-UHFFFAOYSA-N
XLogP8.06
TPSA401.59 Ų
H-Bond Donors10
H-Bond Acceptors25
Rotatable Bonds24
Heavy Atoms94
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001349.25
LogP ≤ 58.06
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1025

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-[(5-amino-2-pyridinyl)amino]ethanol;2-chloro-5-nitropyridine;4-[2-(3,4-difluorophenyl)-5-methylpyrazol-3-yl]-1-[6-(2-hydroxyethylamino)-3-pyridinyl]butan-2-one;[2-(3,4-difluorophenyl)-5-methylpyrazol-3-yl]methanamine;1-[6-(2-hydroxyethylamino)-3-pyridinyl]propan-2-one;2-[(5-nitro-2-pyridinyl)amino]ethanol;hydrochloride with MolForge

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Related Compounds

4-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-1-[3-fluoro-4-(2-methoxyethoxy)phenyl]butan-2-one;[1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methanamine;1,2-difluoro-4-nitrobenzene;3-fluoro-4-(2-methoxyethoxy)aniline;2-fluoro-1-(2-methoxyethoxy)-4-nitrobenzene;phenyl N-[3-fluoro-4-(2-methoxyethoxy)phenyl]carbamate;hydrochloride
CID 161018803
(4-amino-2-fluorophenyl)methanol;4-[1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-1-[3-fluoro-4-(hydroxymethyl)phenyl]butan-2-one;[1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methanamine;4-[4-[1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-2-oxobutyl]-2-fluorobenzaldehyde;1-[3-fluoro-4-(hydroxymethyl)phenyl]propan-2-one;(2-fluoro-4-nitrophenyl)methanol;methyl 2-fluoro-4-nitrobenzoate
CID 160580449
5-[4-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-oxobutyl]pyridine-2-carboxamide
CID 162182267
2-chloro-5-nitropyridine;6-chloropyridin-3-amine
CID 87669080
N'-(5-nitro-2-pyridinyl)ethane-1,2-diamine;hydrochloride
CID 141044426
N'-(5-nitro-2-pyridinyl)ethane-1,2-diamine;trihydrochloride
CID 141018206
N-[2-[5-(2-aminoethyl)-4-(2,4-dichlorophenyl)imidazol-1-yl]ethyl]-5-nitropyridin-2-amine
CID 68710531
N-[2-(2,4-dichlorophenyl)ethyl]-5-nitropyridin-2-amine
CID 28514790
N-(5-amino-2-pyridinyl)-2,2-dimethylpropanamide;2,2-dimethyl-N-(5-nitro-2-pyridinyl)propanamide
CID 157357531
4-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-1-[4-(1,2,3-trihydroxypropan-2-yl)phenyl]butan-2-one
CID 159223839
N-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-5-nitropyridin-2-amine
CID 71852156
[3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]methanamine;4-(2-methylsulfonylethyl)aniline;1-(2-methylsulfonylethyl)-4-nitrobenzene;1-[4-(2-methylsulfonylethyl)phenyl]propan-2-one;(4-nitrophenyl)methanamine;(4-nitrophenyl)methanol;2-[(4-nitrophenyl)methyl]isoindole-1,3-dione;(4-nitrophenyl)methyl methanesulfonate
CID 161451100

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-2-pyridinyl)amino]ethanol;2-chloro-5-nitropyridine;4-[2-(3,4-difluorophenyl)-5-methylpyrazol-3-yl]-1-[6-(2-hydroxyethylamino)-3-pyridinyl]butan-2-one;[2-(3,4-difluorophenyl)-5-methylpyrazol-3-yl]methanamine;1-[6-(2-hydroxyethylamino)-3-pyridinyl]propan-2-one;2-[(5-nitro-2-pyridinyl)amino]ethanol;hydrochloride?
The IUPAC name of 2-[(5-amino-2-pyridinyl)amino]ethanol;2-chloro-5-nitropyridine;4-[2-(3,4-difluorophenyl)-5-methylpyrazol-3-yl]-1-[6-(2-hydroxyethylamino)-3-pyridinyl]butan-2-one;[2-(3,4-difluorophenyl)-5-methylpyrazol-3-yl]methanamine;1-[6-(2-hydroxyethylamino)-3-pyridinyl]propan-2-one;2-[(5-nitro-2-pyridinyl)amino]ethanol;hydrochloride (CID 157461240) is 2-[(5-amino-2-pyridinyl)amino]ethanol;2-chloro-5-nitropyridine;4-[2-(3,4-difluorophenyl)-5-methylpyrazol-3-yl]-1-[6-(2-hydroxyethylamino)-3-pyridinyl]butan-2-one;[2-(3,4-difluorophenyl)-5-methylpyrazol-3-yl]methanamine;1-[6-(2-hydroxyethylamino)-3-pyridinyl]propan-2-one;2-[(5-nitro-2-pyridinyl)amino]ethanol;hydrochloride.
What is the SMILES notation for 2-[(5-amino-2-pyridinyl)amino]ethanol;2-chloro-5-nitropyridine;4-[2-(3,4-difluorophenyl)-5-methylpyrazol-3-yl]-1-[6-(2-hydroxyethylamino)-3-pyridinyl]butan-2-one;[2-(3,4-difluorophenyl)-5-methylpyrazol-3-yl]methanamine;1-[6-(2-hydroxyethylamino)-3-pyridinyl]propan-2-one;2-[(5-nitro-2-pyridinyl)amino]ethanol;hydrochloride?
The canonical SMILES for 2-[(5-amino-2-pyridinyl)amino]ethanol;2-chloro-5-nitropyridine;4-[2-(3,4-difluorophenyl)-5-methylpyrazol-3-yl]-1-[6-(2-hydroxyethylamino)-3-pyridinyl]butan-2-one;[2-(3,4-difluorophenyl)-5-methylpyrazol-3-yl]methanamine;1-[6-(2-hydroxyethylamino)-3-pyridinyl]propan-2-one;2-[(5-nitro-2-pyridinyl)amino]ethanol;hydrochloride is CC(=O)Cc1ccc(NCCO)nc1.Cc1cc(CCC(=O)Cc2ccc(NCCO)nc2)n(-c2ccc(F)c(F)c2)n1.Cc1cc(CN)n(-c2ccc(F)c(F)c2)n1.Cl.Nc1ccc(NCCO)nc1.O=[N+]([O-])c1ccc(Cl)nc1.O=[N+]([O-])c1ccc(NCCO)nc1.
What is the InChIKey of 2-[(5-amino-2-pyridinyl)amino]ethanol;2-chloro-5-nitropyridine;4-[2-(3,4-difluorophenyl)-5-methylpyrazol-3-yl]-1-[6-(2-hydroxyethylamino)-3-pyridinyl]butan-2-one;[2-(3,4-difluorophenyl)-5-methylpyrazol-3-yl]methanamine;1-[6-(2-hydroxyethylamino)-3-pyridinyl]propan-2-one;2-[(5-nitro-2-pyridinyl)amino]ethanol;hydrochloride?
The InChIKey is UKQGUODGNZZBNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F2N4O2.C11H11F2N3.C10H14N2O2.C7H9N3O3.C7H11N3O.C5H3ClN2O2.ClH/c1-14-10-16(27(26-14)17-4-6-19(22)20(23)12-17)3-5-18(29)11-15-2-7-21(25-13-15)24-8-9-28;1-7-4-9(6-14)16(15-7)8-2-3-10(12)11(13)5-8;1-8(14)6-9-2-3-10(12-7-9)11-4-5-13;11-4-3-8-7-2-1-6(5-9-7)10(12)13;8-6-1-2-7(10-5-6)9-3-4-11;6-5-2-1-4(3-7-5)8(9)10;/h2,4,6-7,10,12-13,28H,3,5,8-9,11H2,1H3,(H,24,25);2-5H,6,14H2,1H3;2-3,7,13H,4-6H2,1H3,(H,11,12);1-2,5,11H,3-4H2,(H,8,9);1-2,5,11H,3-4,8H2,(H,9,10);1-3H;1H.
What are the key properties of 2-[(5-amino-2-pyridinyl)amino]ethanol;2-chloro-5-nitropyridine;4-[2-(3,4-difluorophenyl)-5-methylpyrazol-3-yl]-1-[6-(2-hydroxyethylamino)-3-pyridinyl]butan-2-one;[2-(3,4-difluorophenyl)-5-methylpyrazol-3-yl]methanamine;1-[6-(2-hydroxyethylamino)-3-pyridinyl]propan-2-one;2-[(5-nitro-2-pyridinyl)amino]ethanol;hydrochloride?
2-[(5-amino-2-pyridinyl)amino]ethanol;2-chloro-5-nitropyridine;4-[2-(3,4-difluorophenyl)-5-methylpyrazol-3-yl]-1-[6-(2-hydroxyethylamino)-3-pyridinyl]butan-2-one;[2-(3,4-difluorophenyl)-5-methylpyrazol-3-yl]methanamine;1-[6-(2-hydroxyethylamino)-3-pyridinyl]propan-2-one;2-[(5-nitro-2-pyridinyl)amino]ethanol;hydrochloride has a molecular weight of 1349.25 g/mol, XLogP of 8.06, 24 rotatable bonds, 10 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-2-pyridinyl)amino]ethanol;2-chloro-5-nitropyridine;4-[2-(3,4-difluorophenyl)-5-methylpyrazol-3-yl]-1-[6-(2-hydroxyethylamino)-3-pyridinyl]butan-2-one;[2-(3,4-difluorophenyl)-5-methylpyrazol-3-yl]methanamine;1-[6-(2-hydroxyethylamino)-3-pyridinyl]propan-2-one;2-[(5-nitro-2-pyridinyl)amino]ethanol;hydrochloride is sourced from PubChem (CID 157461240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).