4-bromo-2-chloropyridine;2-chloro-4-(2-methyloxolan-2-yl)pyridine;N-hydroxy-4-[[4-(2-methyloxolan-2-yl)-2-oxo-1-pyridinyl]methyl]benzamide;methyl 4-[[4-(2-methyloxolan-2-yl)-2-oxo-1-pyridinyl]methyl]benzoate;4-(2-methyloxolan-2-yl)-1H-pyridin-2-one

C62H69BrCl2N6O11 — CID 158186712

IUPAC4-bromo-2-chloropyridine;2-chloro-4-(2-methyloxolan-2-yl)pyridine;N-hydroxy-4-[[4-(2-methyloxolan-2-yl)-2-oxo-1-pyridinyl]methyl]benzamide;methyl 4-[[4-(2-methyloxolan-2-yl)-2-oxo-1-pyridinyl]methyl]benzoate;4-(2-methyloxolan-2-yl)-1H-pyridin-2-one
SMILESCC1(c2cc[nH]c(=O)c2)CCCO1.CC1(c2ccn(Cc3ccc(C(=O)NO)cc3)c(=O)c2)CCCO1.CC1(c2ccnc(Cl)c2)CCCO1.COC(=O)c1ccc(Cn2ccc(C3(C)CCCO3)cc2=O)cc1.Clc1cc(Br)ccn1
InChIInChI=1S/C19H21NO4.C18H20N2O4.C10H12ClNO.C10H13NO2.C5H3BrClN/c1-19(9-3-11-24-19)16-8-10-20(17(21)12-16)13-14-4-6-15(7-5-14)18(22)23-2;1-18(8-2-10-24-18)15-7-9-20(16(21)11-15)12-13-3-5-14(6-4-13)17(22)19-23;1-10(4-2-6-13-10)8-3-5-12-9(11)7-8;1-10(4-2-6-13-10)8-3-5-11-9(12)7-8;6-4-1-2-8-5(7)3-4/h4-8,10,12H,3,9,11,13H2,1-2H3;3-7,9,11,23H,2,8,10,12H2,1H3,(H,19,22);3,5,7H,2,4,6H2,1H3;3,5,7H,2,4,6H2,1H3,(H,11,12);1-3H
InChIKeyFZFMXBFBMDFUKJ-UHFFFAOYSA-N
MW1225.07 g/mol
LogP11.41
Rot. Bonds10

About 4-bromo-2-chloropyridine;2-chloro-4-(2-methyloxolan-2-yl)pyridine;N-hydroxy-4-[[4-(2-methyloxolan-2-yl)-2-oxo-1-pyridinyl]methyl]benzamide;methyl 4-[[4-(2-methyloxolan-2-yl)-2-oxo-1-pyridinyl]methyl]benzoate;4-(2-methyloxolan-2-yl)-1H-pyridin-2-one

4-bromo-2-chloropyridine;2-chloro-4-(2-methyloxolan-2-yl)pyridine;N-hydroxy-4-[[4-(2-methyloxolan-2-yl)-2-oxo-1-pyridinyl]methyl]benzamide;methyl 4-[[4-(2-methyloxolan-2-yl)-2-oxo-1-pyridinyl]methyl]benzoate;4-(2-methyloxolan-2-yl)-1H-pyridin-2-one (PubChem CID 158186712) has the molecular formula C62H69BrCl2N6O11 and a molecular weight of 1225.07 g/mol. Its IUPAC name is 4-bromo-2-chloropyridine;2-chloro-4-(2-methyloxolan-2-yl)pyridine;N-hydroxy-4-[[4-(2-methyloxolan-2-yl)-2-oxo-1-pyridinyl]methyl]benzamide;methyl 4-[[4-(2-methyloxolan-2-yl)-2-oxo-1-pyridinyl]methyl]benzoate;4-(2-methyloxolan-2-yl)-1H-pyridin-2-one.

Molecular Properties

Compound Name4-bromo-2-chloropyridine;2-chloro-4-(2-methyloxolan-2-yl)pyridine;N-hydroxy-4-[[4-(2-methyloxolan-2-yl)-2-oxo-1-pyridinyl]methyl]benzamide;methyl 4-[[4-(2-methyloxolan-2-yl)-2-oxo-1-pyridinyl]methyl]benzoate;4-(2-methyloxolan-2-yl)-1H-pyridin-2-one
PubChem CID158186712
Molecular FormulaC62H69BrCl2N6O11
Molecular Weight1225.07 g/mol
Exact Mass1222.36
IUPAC Name4-bromo-2-chloropyridine;2-chloro-4-(2-methyloxolan-2-yl)pyridine;N-hydroxy-4-[[4-(2-methyloxolan-2-yl)-2-oxo-1-pyridinyl]methyl]benzamide;methyl 4-[[4-(2-methyloxolan-2-yl)-2-oxo-1-pyridinyl]methyl]benzoate;4-(2-methyloxolan-2-yl)-1H-pyridin-2-one
SMILESCC1(c2cc[nH]c(=O)c2)CCCO1.CC1(c2ccn(Cc3ccc(C(=O)NO)cc3)c(=O)c2)CCCO1.CC1(c2ccnc(Cl)c2)CCCO1.COC(=O)c1ccc(Cn2ccc(C3(C)CCCO3)cc2=O)cc1.Clc1cc(Br)ccn1
InChIInChI=1S/C19H21NO4.C18H20N2O4.C10H12ClNO.C10H13NO2.C5H3BrClN/c1-19(9-3-11-24-19)16-8-10-20(17(21)12-16)13-14-4-6-15(7-5-14)18(22)23-2;1-18(8-2-10-24-18)15-7-9-20(16(21)11-15)12-13-3-5-14(6-4-13)17(22)19-23;1-10(4-2-6-13-10)8-3-5-12-9(11)7-8;1-10(4-2-6-13-10)8-3-5-11-9(12)7-8;6-4-1-2-8-5(7)3-4/h4-8,10,12H,3,9,11,13H2,1-2H3;3-7,9,11,23H,2,8,10,12H2,1H3,(H,19,22);3,5,7H,2,4,6H2,1H3;3,5,7H,2,4,6H2,1H3,(H,11,12);1-3H
InChIKeyFZFMXBFBMDFUKJ-UHFFFAOYSA-N
XLogP11.41
TPSA215.19 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds10
Heavy Atoms82
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001225.07
LogP ≤ 511.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze 4-bromo-2-chloropyridine;2-chloro-4-(2-methyloxolan-2-yl)pyridine;N-hydroxy-4-[[4-(2-methyloxolan-2-yl)-2-oxo-1-pyridinyl]methyl]benzamide;methyl 4-[[4-(2-methyloxolan-2-yl)-2-oxo-1-pyridinyl]methyl]benzoate;4-(2-methyloxolan-2-yl)-1H-pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloropyridine;2-chloro-4-(2-methyloxolan-2-yl)pyridine;N-hydroxy-4-[[4-(2-methyloxolan-2-yl)-2-oxo-1-pyridinyl]methyl]benzamide;methyl 4-[[4-(2-methyloxolan-2-yl)-2-oxo-1-pyridinyl]methyl]benzoate;4-(2-methyloxolan-2-yl)-1H-pyridin-2-one?
The IUPAC name of 4-bromo-2-chloropyridine;2-chloro-4-(2-methyloxolan-2-yl)pyridine;N-hydroxy-4-[[4-(2-methyloxolan-2-yl)-2-oxo-1-pyridinyl]methyl]benzamide;methyl 4-[[4-(2-methyloxolan-2-yl)-2-oxo-1-pyridinyl]methyl]benzoate;4-(2-methyloxolan-2-yl)-1H-pyridin-2-one (CID 158186712) is 4-bromo-2-chloropyridine;2-chloro-4-(2-methyloxolan-2-yl)pyridine;N-hydroxy-4-[[4-(2-methyloxolan-2-yl)-2-oxo-1-pyridinyl]methyl]benzamide;methyl 4-[[4-(2-methyloxolan-2-yl)-2-oxo-1-pyridinyl]methyl]benzoate;4-(2-methyloxolan-2-yl)-1H-pyridin-2-one.
What is the SMILES notation for 4-bromo-2-chloropyridine;2-chloro-4-(2-methyloxolan-2-yl)pyridine;N-hydroxy-4-[[4-(2-methyloxolan-2-yl)-2-oxo-1-pyridinyl]methyl]benzamide;methyl 4-[[4-(2-methyloxolan-2-yl)-2-oxo-1-pyridinyl]methyl]benzoate;4-(2-methyloxolan-2-yl)-1H-pyridin-2-one?
The canonical SMILES for 4-bromo-2-chloropyridine;2-chloro-4-(2-methyloxolan-2-yl)pyridine;N-hydroxy-4-[[4-(2-methyloxolan-2-yl)-2-oxo-1-pyridinyl]methyl]benzamide;methyl 4-[[4-(2-methyloxolan-2-yl)-2-oxo-1-pyridinyl]methyl]benzoate;4-(2-methyloxolan-2-yl)-1H-pyridin-2-one is CC1(c2cc[nH]c(=O)c2)CCCO1.CC1(c2ccn(Cc3ccc(C(=O)NO)cc3)c(=O)c2)CCCO1.CC1(c2ccnc(Cl)c2)CCCO1.COC(=O)c1ccc(Cn2ccc(C3(C)CCCO3)cc2=O)cc1.Clc1cc(Br)ccn1.
What is the InChIKey of 4-bromo-2-chloropyridine;2-chloro-4-(2-methyloxolan-2-yl)pyridine;N-hydroxy-4-[[4-(2-methyloxolan-2-yl)-2-oxo-1-pyridinyl]methyl]benzamide;methyl 4-[[4-(2-methyloxolan-2-yl)-2-oxo-1-pyridinyl]methyl]benzoate;4-(2-methyloxolan-2-yl)-1H-pyridin-2-one?
The InChIKey is FZFMXBFBMDFUKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4.C18H20N2O4.C10H12ClNO.C10H13NO2.C5H3BrClN/c1-19(9-3-11-24-19)16-8-10-20(17(21)12-16)13-14-4-6-15(7-5-14)18(22)23-2;1-18(8-2-10-24-18)15-7-9-20(16(21)11-15)12-13-3-5-14(6-4-13)17(22)19-23;1-10(4-2-6-13-10)8-3-5-12-9(11)7-8;1-10(4-2-6-13-10)8-3-5-11-9(12)7-8;6-4-1-2-8-5(7)3-4/h4-8,10,12H,3,9,11,13H2,1-2H3;3-7,9,11,23H,2,8,10,12H2,1H3,(H,19,22);3,5,7H,2,4,6H2,1H3;3,5,7H,2,4,6H2,1H3,(H,11,12);1-3H.
What are the key properties of 4-bromo-2-chloropyridine;2-chloro-4-(2-methyloxolan-2-yl)pyridine;N-hydroxy-4-[[4-(2-methyloxolan-2-yl)-2-oxo-1-pyridinyl]methyl]benzamide;methyl 4-[[4-(2-methyloxolan-2-yl)-2-oxo-1-pyridinyl]methyl]benzoate;4-(2-methyloxolan-2-yl)-1H-pyridin-2-one?
4-bromo-2-chloropyridine;2-chloro-4-(2-methyloxolan-2-yl)pyridine;N-hydroxy-4-[[4-(2-methyloxolan-2-yl)-2-oxo-1-pyridinyl]methyl]benzamide;methyl 4-[[4-(2-methyloxolan-2-yl)-2-oxo-1-pyridinyl]methyl]benzoate;4-(2-methyloxolan-2-yl)-1H-pyridin-2-one has a molecular weight of 1225.07 g/mol, XLogP of 11.41, 10 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-chloropyridine;2-chloro-4-(2-methyloxolan-2-yl)pyridine;N-hydroxy-4-[[4-(2-methyloxolan-2-yl)-2-oxo-1-pyridinyl]methyl]benzamide;methyl 4-[[4-(2-methyloxolan-2-yl)-2-oxo-1-pyridinyl]methyl]benzoate;4-(2-methyloxolan-2-yl)-1H-pyridin-2-one is sourced from PubChem (CID 158186712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).