3,5-dichloro-6-methylpyridin-2-amine;7-[[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-(2,3,5-trichlorophenyl)methyl]quinolin-8-ol;quinolin-8-ol;2,3,5-trichlorobenzaldehyde

C44H30Cl10N6O3 — CID 162089604

IUPAC3,5-dichloro-6-methylpyridin-2-amine;7-[[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-(2,3,5-trichlorophenyl)methyl]quinolin-8-ol;quinolin-8-ol;2,3,5-trichlorobenzaldehyde
SMILESCc1nc(N)c(Cl)cc1Cl.Cc1nc(NC(c2cc(Cl)cc(Cl)c2Cl)c2ccc3cccnc3c2O)c(Cl)cc1Cl.O=Cc1cc(Cl)cc(Cl)c1Cl.Oc1cccc2cccnc12
InChIInChI=1S/C22H14Cl5N3O.C9H7NO.C7H3Cl3O.C6H6Cl2N2/c1-10-15(24)9-17(26)22(29-10)30-20(14-7-12(23)8-16(25)18(14)27)13-5-4-11-3-2-6-28-19(11)21(13)31;11-8-5-1-3-7-4-2-6-10-9(7)8;8-5-1-4(3-11)7(10)6(9)2-5;1-3-4(7)2-5(8)6(9)10-3/h2-9,20,31H,1H3,(H,29,30);1-6,11H;1-3H;2H,1H3,(H2,9,10)
InChIKeyZDKRDPYETYJCSJ-UHFFFAOYSA-N
MW1045.29 g/mol
LogP15.79
Rot. Bonds5

About 3,5-dichloro-6-methylpyridin-2-amine;7-[[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-(2,3,5-trichlorophenyl)methyl]quinolin-8-ol;quinolin-8-ol;2,3,5-trichlorobenzaldehyde

3,5-dichloro-6-methylpyridin-2-amine;7-[[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-(2,3,5-trichlorophenyl)methyl]quinolin-8-ol;quinolin-8-ol;2,3,5-trichlorobenzaldehyde (PubChem CID 162089604) has the molecular formula C44H30Cl10N6O3 and a molecular weight of 1045.29 g/mol. Its IUPAC name is 3,5-dichloro-6-methylpyridin-2-amine;7-[[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-(2,3,5-trichlorophenyl)methyl]quinolin-8-ol;quinolin-8-ol;2,3,5-trichlorobenzaldehyde.

Molecular Properties

Compound Name3,5-dichloro-6-methylpyridin-2-amine;7-[[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-(2,3,5-trichlorophenyl)methyl]quinolin-8-ol;quinolin-8-ol;2,3,5-trichlorobenzaldehyde
PubChem CID162089604
Molecular FormulaC44H30Cl10N6O3
Molecular Weight1045.29 g/mol
Exact Mass1039.93
IUPAC Name3,5-dichloro-6-methylpyridin-2-amine;7-[[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-(2,3,5-trichlorophenyl)methyl]quinolin-8-ol;quinolin-8-ol;2,3,5-trichlorobenzaldehyde
SMILESCc1nc(N)c(Cl)cc1Cl.Cc1nc(NC(c2cc(Cl)cc(Cl)c2Cl)c2ccc3cccnc3c2O)c(Cl)cc1Cl.O=Cc1cc(Cl)cc(Cl)c1Cl.Oc1cccc2cccnc12
InChIInChI=1S/C22H14Cl5N3O.C9H7NO.C7H3Cl3O.C6H6Cl2N2/c1-10-15(24)9-17(26)22(29-10)30-20(14-7-12(23)8-16(25)18(14)27)13-5-4-11-3-2-6-28-19(11)21(13)31;11-8-5-1-3-7-4-2-6-10-9(7)8;8-5-1-4(3-11)7(10)6(9)2-5;1-3-4(7)2-5(8)6(9)10-3/h2-9,20,31H,1H3,(H,29,30);1-6,11H;1-3H;2H,1H3,(H2,9,10)
InChIKeyZDKRDPYETYJCSJ-UHFFFAOYSA-N
XLogP15.79
TPSA147.14 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001045.29
LogP ≤ 515.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-6-methylpyridin-2-amine;7-[[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-(2,3,5-trichlorophenyl)methyl]quinolin-8-ol;quinolin-8-ol;2,3,5-trichlorobenzaldehyde?
The IUPAC name of 3,5-dichloro-6-methylpyridin-2-amine;7-[[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-(2,3,5-trichlorophenyl)methyl]quinolin-8-ol;quinolin-8-ol;2,3,5-trichlorobenzaldehyde (CID 162089604) is 3,5-dichloro-6-methylpyridin-2-amine;7-[[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-(2,3,5-trichlorophenyl)methyl]quinolin-8-ol;quinolin-8-ol;2,3,5-trichlorobenzaldehyde.
What is the SMILES notation for 3,5-dichloro-6-methylpyridin-2-amine;7-[[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-(2,3,5-trichlorophenyl)methyl]quinolin-8-ol;quinolin-8-ol;2,3,5-trichlorobenzaldehyde?
The canonical SMILES for 3,5-dichloro-6-methylpyridin-2-amine;7-[[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-(2,3,5-trichlorophenyl)methyl]quinolin-8-ol;quinolin-8-ol;2,3,5-trichlorobenzaldehyde is Cc1nc(N)c(Cl)cc1Cl.Cc1nc(NC(c2cc(Cl)cc(Cl)c2Cl)c2ccc3cccnc3c2O)c(Cl)cc1Cl.O=Cc1cc(Cl)cc(Cl)c1Cl.Oc1cccc2cccnc12.
What is the InChIKey of 3,5-dichloro-6-methylpyridin-2-amine;7-[[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-(2,3,5-trichlorophenyl)methyl]quinolin-8-ol;quinolin-8-ol;2,3,5-trichlorobenzaldehyde?
The InChIKey is ZDKRDPYETYJCSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14Cl5N3O.C9H7NO.C7H3Cl3O.C6H6Cl2N2/c1-10-15(24)9-17(26)22(29-10)30-20(14-7-12(23)8-16(25)18(14)27)13-5-4-11-3-2-6-28-19(11)21(13)31;11-8-5-1-3-7-4-2-6-10-9(7)8;8-5-1-4(3-11)7(10)6(9)2-5;1-3-4(7)2-5(8)6(9)10-3/h2-9,20,31H,1H3,(H,29,30);1-6,11H;1-3H;2H,1H3,(H2,9,10).
What are the key properties of 3,5-dichloro-6-methylpyridin-2-amine;7-[[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-(2,3,5-trichlorophenyl)methyl]quinolin-8-ol;quinolin-8-ol;2,3,5-trichlorobenzaldehyde?
3,5-dichloro-6-methylpyridin-2-amine;7-[[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-(2,3,5-trichlorophenyl)methyl]quinolin-8-ol;quinolin-8-ol;2,3,5-trichlorobenzaldehyde has a molecular weight of 1045.29 g/mol, XLogP of 15.79, 5 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-6-methylpyridin-2-amine;7-[[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-(2,3,5-trichlorophenyl)methyl]quinolin-8-ol;quinolin-8-ol;2,3,5-trichlorobenzaldehyde is sourced from PubChem (CID 162089604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).