3-amino-1-(5-chloro-2-pyridinyl)-5,5,5-trifluoropentan-2-one;2-amino-5-fluorobenzoic acid;chloro(diazenyl)diazene;5-chloropyridin-2-amine;1-(5-chloro-2-pyridinyl)-5,5,5-trifluoro-3-methylpentan-2-one;3-[5-(5-chloro-2-pyridinyl)-1,1,1-trifluoro-4-oxopentan-3-yl]-6-fluoroquinazolin-4-one;methane;4-methylmorpholine;2-methylpropyl carbonochloridate;oxolane;4,4,4-trifluoro-2-methylbutanoic acid;hydrochloride

C72H89Cl7F14N14O12 — CID 159115891

IUPAC3-amino-1-(5-chloro-2-pyridinyl)-5,5,5-trifluoropentan-2-one;2-amino-5-fluorobenzoic acid;chloro(diazenyl)diazene;5-chloropyridin-2-amine;1-(5-chloro-2-pyridinyl)-5,5,5-trifluoro-3-methylpentan-2-one;3-[5-(5-chloro-2-pyridinyl)-1,1,1-trifluoro-4-oxopentan-3-yl]-6-fluoroquinazolin-4-one;methane;4-methylmorpholine;2-methylpropyl carbonochloridate;oxolane;4,4,4-trifluoro-2-methylbutanoic acid;hydrochloride
SMILESC.C.C1CCOC1.CC(C)COC(=O)Cl.CC(CC(F)(F)F)C(=O)Cc1ccc(Cl)cn1.CC(CC(F)(F)F)C(=O)O.CN1CCOCC1.Cl.NC(CC(F)(F)F)C(=O)Cc1ccc(Cl)cn1.Nc1ccc(Cl)cn1.Nc1ccc(F)cc1C(=O)O.O=C(Cc1ccc(Cl)cn1)C(CC(F)(F)F)n1cnc2ccc(F)cc2c1=O.[H]/N=N/N=NCl
InChIInChI=1S/C18H12ClF4N3O2.C11H11ClF3NO.C10H10ClF3N2O.C7H6FNO2.C5H5ClN2.C5H9ClO2.C5H7F3O2.C5H11NO.C4H8O.2CH4.ClHN4.ClH/c19-10-1-3-12(24-8-10)6-16(27)15(7-18(21,22)23)26-9-25-14-4-2-11(20)5-13(14)17(26)28;1-7(5-11(13,14)15)10(17)4-9-3-2-8(12)6-16-9;11-6-1-2-7(16-5-6)3-9(17)8(15)4-10(12,13)14;8-4-1-2-6(9)5(3-4)7(10)11;6-4-1-2-5(7)8-3-4;1-4(2)3-8-5(6)7;1-3(4(9)10)2-5(6,7)8;1-6-2-4-7-5-3-6;1-2-4-5-3-1;;;1-3-5-4-2;/h1-5,8-9,15H,6-7H2;2-3,6-7H,4-5H2,1H3;1-2,5,8H,3-4,15H2;1-3H,9H2,(H,10,11);1-3H,(H2,7,8);4H,3H2,1-2H3;3H,2H2,1H3,(H,9,10);2-5H2,1H3;1-4H2;2*1H4;2H;1H/b;;;;;;;;;;;4-2+,5-3?;
InChIKeyJFORNFOFTPQBNA-VTTZFRKXSA-N
MW1856.73 g/mol
LogP19.53
Rot. Bonds19

About 3-amino-1-(5-chloro-2-pyridinyl)-5,5,5-trifluoropentan-2-one;2-amino-5-fluorobenzoic acid;chloro(diazenyl)diazene;5-chloropyridin-2-amine;1-(5-chloro-2-pyridinyl)-5,5,5-trifluoro-3-methylpentan-2-one;3-[5-(5-chloro-2-pyridinyl)-1,1,1-trifluoro-4-oxopentan-3-yl]-6-fluoroquinazolin-4-one;methane;4-methylmorpholine;2-methylpropyl carbonochloridate;oxolane;4,4,4-trifluoro-2-methylbutanoic acid;hydrochloride

3-amino-1-(5-chloro-2-pyridinyl)-5,5,5-trifluoropentan-2-one;2-amino-5-fluorobenzoic acid;chloro(diazenyl)diazene;5-chloropyridin-2-amine;1-(5-chloro-2-pyridinyl)-5,5,5-trifluoro-3-methylpentan-2-one;3-[5-(5-chloro-2-pyridinyl)-1,1,1-trifluoro-4-oxopentan-3-yl]-6-fluoroquinazolin-4-one;methane;4-methylmorpholine;2-methylpropyl carbonochloridate;oxolane;4,4,4-trifluoro-2-methylbutanoic acid;hydrochloride (PubChem CID 159115891) has the molecular formula C72H89Cl7F14N14O12 and a molecular weight of 1856.73 g/mol. Its IUPAC name is 3-amino-1-(5-chloro-2-pyridinyl)-5,5,5-trifluoropentan-2-one;2-amino-5-fluorobenzoic acid;chloro(diazenyl)diazene;5-chloropyridin-2-amine;1-(5-chloro-2-pyridinyl)-5,5,5-trifluoro-3-methylpentan-2-one;3-[5-(5-chloro-2-pyridinyl)-1,1,1-trifluoro-4-oxopentan-3-yl]-6-fluoroquinazolin-4-one;methane;4-methylmorpholine;2-methylpropyl carbonochloridate;oxolane;4,4,4-trifluoro-2-methylbutanoic acid;hydrochloride.

Molecular Properties

Compound Name3-amino-1-(5-chloro-2-pyridinyl)-5,5,5-trifluoropentan-2-one;2-amino-5-fluorobenzoic acid;chloro(diazenyl)diazene;5-chloropyridin-2-amine;1-(5-chloro-2-pyridinyl)-5,5,5-trifluoro-3-methylpentan-2-one;3-[5-(5-chloro-2-pyridinyl)-1,1,1-trifluoro-4-oxopentan-3-yl]-6-fluoroquinazolin-4-one;methane;4-methylmorpholine;2-methylpropyl carbonochloridate;oxolane;4,4,4-trifluoro-2-methylbutanoic acid;hydrochloride
PubChem CID159115891
Molecular FormulaC72H89Cl7F14N14O12
Molecular Weight1856.73 g/mol
Exact Mass1852.44
IUPAC Name3-amino-1-(5-chloro-2-pyridinyl)-5,5,5-trifluoropentan-2-one;2-amino-5-fluorobenzoic acid;chloro(diazenyl)diazene;5-chloropyridin-2-amine;1-(5-chloro-2-pyridinyl)-5,5,5-trifluoro-3-methylpentan-2-one;3-[5-(5-chloro-2-pyridinyl)-1,1,1-trifluoro-4-oxopentan-3-yl]-6-fluoroquinazolin-4-one;methane;4-methylmorpholine;2-methylpropyl carbonochloridate;oxolane;4,4,4-trifluoro-2-methylbutanoic acid;hydrochloride
SMILESC.C.C1CCOC1.CC(C)COC(=O)Cl.CC(CC(F)(F)F)C(=O)Cc1ccc(Cl)cn1.CC(CC(F)(F)F)C(=O)O.CN1CCOCC1.Cl.NC(CC(F)(F)F)C(=O)Cc1ccc(Cl)cn1.Nc1ccc(Cl)cn1.Nc1ccc(F)cc1C(=O)O.O=C(Cc1ccc(Cl)cn1)C(CC(F)(F)F)n1cnc2ccc(F)cc2c1=O.[H]/N=N/N=NCl
InChIInChI=1S/C18H12ClF4N3O2.C11H11ClF3NO.C10H10ClF3N2O.C7H6FNO2.C5H5ClN2.C5H9ClO2.C5H7F3O2.C5H11NO.C4H8O.2CH4.ClHN4.ClH/c19-10-1-3-12(24-8-10)6-16(27)15(7-18(21,22)23)26-9-25-14-4-2-11(20)5-13(14)17(26)28;1-7(5-11(13,14)15)10(17)4-9-3-2-8(12)6-16-9;11-6-1-2-7(16-5-6)3-9(17)8(15)4-10(12,13)14;8-4-1-2-6(9)5(3-4)7(10)11;6-4-1-2-5(7)8-3-4;1-4(2)3-8-5(6)7;1-3(4(9)10)2-5(6,7)8;1-6-2-4-7-5-3-6;1-2-4-5-3-1;;;1-3-5-4-2;/h1-5,8-9,15H,6-7H2;2-3,6-7H,4-5H2,1H3;1-2,5,8H,3-4,15H2;1-3H,9H2,(H,10,11);1-3H,(H2,7,8);4H,3H2,1-2H3;3H,2H2,1H3,(H,9,10);2-5H2,1H3;1-4H2;2*1H4;2H;1H/b;;;;;;;;;;;4-2+,5-3?;
InChIKeyJFORNFOFTPQBNA-VTTZFRKXSA-N
XLogP19.53
TPSA399.25 Ų
H-Bond Donors6
H-Bond Acceptors22
Rotatable Bonds19
Heavy Atoms119
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001856.73
LogP ≤ 519.53
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-amino-1-(5-chloro-2-pyridinyl)-5,5,5-trifluoropentan-2-one;2-amino-5-fluorobenzoic acid;chloro(diazenyl)diazene;5-chloropyridin-2-amine;1-(5-chloro-2-pyridinyl)-5,5,5-trifluoro-3-methylpentan-2-one;3-[5-(5-chloro-2-pyridinyl)-1,1,1-trifluoro-4-oxopentan-3-yl]-6-fluoroquinazolin-4-one;methane;4-methylmorpholine;2-methylpropyl carbonochloridate;oxolane;4,4,4-trifluoro-2-methylbutanoic acid;hydrochloride 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

CID 159533654
CID 159533654
7-Chloro-3-(2,6-difluorophenyl)-1-propan-2-yl-1,6-naphthyridin-2-one;6-chloro-4-(propan-2-ylamino)pyridine-3-carbaldehyde;[6-chloro-4-(propan-2-ylamino)-3-pyridinyl]methanol;3-(2,6-difluorophenyl)-7-[(5-fluoro-2-pyridinyl)amino]-1-propan-2-yl-1,6-naphthyridin-2-one;ethyl 6-chloro-4-(propan-2-ylamino)pyridine-3-carboxylate;ethyl 4,6-dichloropyridine-3-carboxylate;ethyl 2-(2,6-difluorophenyl)acetate;propan-2-amine
CID 158324007
Bis(6-[[4-[(6-amino-2-methyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]methyl]-3-chloroquinoline-8-carboxylic acid);methyl 6-[[4-[(6-amino-2-methyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]methyl]-3-chloroquinoline-8-carboxylate;oxolane
CID 159444530
6-[[4-[(6-Amino-2-methyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]methyl]-3-chloroquinoline-8-carboxylic acid;methane;methyl 6-[[4-[(6-amino-2-methyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]methyl]-3-chloroquinoline-8-carboxylate;oxolane
CID 159459188
2-chloroquinoline-8-carboxylic acid;2-(5-methyl-3-pyridinyl)-N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]quinoline-8-carboxamide;2-(5-methyl-3-pyridinyl)quinoline-8-carboxylic acid
CID 160411602
Tris(6-[[4-[(6-amino-2,4-dimethyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]methyl]-3-chloroquinoline-8-carboxylic acid);oxolane
CID 161494172

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(5-chloro-2-pyridinyl)-5,5,5-trifluoropentan-2-one;2-amino-5-fluorobenzoic acid;chloro(diazenyl)diazene;5-chloropyridin-2-amine;1-(5-chloro-2-pyridinyl)-5,5,5-trifluoro-3-methylpentan-2-one;3-[5-(5-chloro-2-pyridinyl)-1,1,1-trifluoro-4-oxopentan-3-yl]-6-fluoroquinazolin-4-one;methane;4-methylmorpholine;2-methylpropyl carbonochloridate;oxolane;4,4,4-trifluoro-2-methylbutanoic acid;hydrochloride?
The IUPAC name of 3-amino-1-(5-chloro-2-pyridinyl)-5,5,5-trifluoropentan-2-one;2-amino-5-fluorobenzoic acid;chloro(diazenyl)diazene;5-chloropyridin-2-amine;1-(5-chloro-2-pyridinyl)-5,5,5-trifluoro-3-methylpentan-2-one;3-[5-(5-chloro-2-pyridinyl)-1,1,1-trifluoro-4-oxopentan-3-yl]-6-fluoroquinazolin-4-one;methane;4-methylmorpholine;2-methylpropyl carbonochloridate;oxolane;4,4,4-trifluoro-2-methylbutanoic acid;hydrochloride (CID 159115891) is 3-amino-1-(5-chloro-2-pyridinyl)-5,5,5-trifluoropentan-2-one;2-amino-5-fluorobenzoic acid;chloro(diazenyl)diazene;5-chloropyridin-2-amine;1-(5-chloro-2-pyridinyl)-5,5,5-trifluoro-3-methylpentan-2-one;3-[5-(5-chloro-2-pyridinyl)-1,1,1-trifluoro-4-oxopentan-3-yl]-6-fluoroquinazolin-4-one;methane;4-methylmorpholine;2-methylpropyl carbonochloridate;oxolane;4,4,4-trifluoro-2-methylbutanoic acid;hydrochloride.
What is the SMILES notation for 3-amino-1-(5-chloro-2-pyridinyl)-5,5,5-trifluoropentan-2-one;2-amino-5-fluorobenzoic acid;chloro(diazenyl)diazene;5-chloropyridin-2-amine;1-(5-chloro-2-pyridinyl)-5,5,5-trifluoro-3-methylpentan-2-one;3-[5-(5-chloro-2-pyridinyl)-1,1,1-trifluoro-4-oxopentan-3-yl]-6-fluoroquinazolin-4-one;methane;4-methylmorpholine;2-methylpropyl carbonochloridate;oxolane;4,4,4-trifluoro-2-methylbutanoic acid;hydrochloride?
The canonical SMILES for 3-amino-1-(5-chloro-2-pyridinyl)-5,5,5-trifluoropentan-2-one;2-amino-5-fluorobenzoic acid;chloro(diazenyl)diazene;5-chloropyridin-2-amine;1-(5-chloro-2-pyridinyl)-5,5,5-trifluoro-3-methylpentan-2-one;3-[5-(5-chloro-2-pyridinyl)-1,1,1-trifluoro-4-oxopentan-3-yl]-6-fluoroquinazolin-4-one;methane;4-methylmorpholine;2-methylpropyl carbonochloridate;oxolane;4,4,4-trifluoro-2-methylbutanoic acid;hydrochloride is C.C.C1CCOC1.CC(C)COC(=O)Cl.CC(CC(F)(F)F)C(=O)Cc1ccc(Cl)cn1.CC(CC(F)(F)F)C(=O)O.CN1CCOCC1.Cl.NC(CC(F)(F)F)C(=O)Cc1ccc(Cl)cn1.Nc1ccc(Cl)cn1.Nc1ccc(F)cc1C(=O)O.O=C(Cc1ccc(Cl)cn1)C(CC(F)(F)F)n1cnc2ccc(F)cc2c1=O.[H]/N=N/N=NCl.
What is the InChIKey of 3-amino-1-(5-chloro-2-pyridinyl)-5,5,5-trifluoropentan-2-one;2-amino-5-fluorobenzoic acid;chloro(diazenyl)diazene;5-chloropyridin-2-amine;1-(5-chloro-2-pyridinyl)-5,5,5-trifluoro-3-methylpentan-2-one;3-[5-(5-chloro-2-pyridinyl)-1,1,1-trifluoro-4-oxopentan-3-yl]-6-fluoroquinazolin-4-one;methane;4-methylmorpholine;2-methylpropyl carbonochloridate;oxolane;4,4,4-trifluoro-2-methylbutanoic acid;hydrochloride?
The InChIKey is JFORNFOFTPQBNA-VTTZFRKXSA-N. The full InChI is InChI=1S/C18H12ClF4N3O2.C11H11ClF3NO.C10H10ClF3N2O.C7H6FNO2.C5H5ClN2.C5H9ClO2.C5H7F3O2.C5H11NO.C4H8O.2CH4.ClHN4.ClH/c19-10-1-3-12(24-8-10)6-16(27)15(7-18(21,22)23)26-9-25-14-4-2-11(20)5-13(14)17(26)28;1-7(5-11(13,14)15)10(17)4-9-3-2-8(12)6-16-9;11-6-1-2-7(16-5-6)3-9(17)8(15)4-10(12,13)14;8-4-1-2-6(9)5(3-4)7(10)11;6-4-1-2-5(7)8-3-4;1-4(2)3-8-5(6)7;1-3(4(9)10)2-5(6,7)8;1-6-2-4-7-5-3-6;1-2-4-5-3-1;;;1-3-5-4-2;/h1-5,8-9,15H,6-7H2;2-3,6-7H,4-5H2,1H3;1-2,5,8H,3-4,15H2;1-3H,9H2,(H,10,11);1-3H,(H2,7,8);4H,3H2,1-2H3;3H,2H2,1H3,(H,9,10);2-5H2,1H3;1-4H2;2*1H4;2H;1H/b;;;;;;;;;;;4-2+,5-3?;.
What are the key properties of 3-amino-1-(5-chloro-2-pyridinyl)-5,5,5-trifluoropentan-2-one;2-amino-5-fluorobenzoic acid;chloro(diazenyl)diazene;5-chloropyridin-2-amine;1-(5-chloro-2-pyridinyl)-5,5,5-trifluoro-3-methylpentan-2-one;3-[5-(5-chloro-2-pyridinyl)-1,1,1-trifluoro-4-oxopentan-3-yl]-6-fluoroquinazolin-4-one;methane;4-methylmorpholine;2-methylpropyl carbonochloridate;oxolane;4,4,4-trifluoro-2-methylbutanoic acid;hydrochloride?
3-amino-1-(5-chloro-2-pyridinyl)-5,5,5-trifluoropentan-2-one;2-amino-5-fluorobenzoic acid;chloro(diazenyl)diazene;5-chloropyridin-2-amine;1-(5-chloro-2-pyridinyl)-5,5,5-trifluoro-3-methylpentan-2-one;3-[5-(5-chloro-2-pyridinyl)-1,1,1-trifluoro-4-oxopentan-3-yl]-6-fluoroquinazolin-4-one;methane;4-methylmorpholine;2-methylpropyl carbonochloridate;oxolane;4,4,4-trifluoro-2-methylbutanoic acid;hydrochloride has a molecular weight of 1856.73 g/mol, XLogP of 19.53, 19 rotatable bonds, 6 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(5-chloro-2-pyridinyl)-5,5,5-trifluoropentan-2-one;2-amino-5-fluorobenzoic acid;chloro(diazenyl)diazene;5-chloropyridin-2-amine;1-(5-chloro-2-pyridinyl)-5,5,5-trifluoro-3-methylpentan-2-one;3-[5-(5-chloro-2-pyridinyl)-1,1,1-trifluoro-4-oxopentan-3-yl]-6-fluoroquinazolin-4-one;methane;4-methylmorpholine;2-methylpropyl carbonochloridate;oxolane;4,4,4-trifluoro-2-methylbutanoic acid;hydrochloride is sourced from PubChem (CID 159115891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).