5-chloro-3-fluoro-4-methylpyridin-2-amine;7-[[(5-chloro-3-fluoro-4-methyl-2-pyridinyl)amino]-(2,3-dichlorophenyl)methyl]quinolin-8-ol;2,3-dichlorobenzaldehyde;quinolin-8-ol

C44H32Cl6F2N6O3 — CID 157115701

IUPAC5-chloro-3-fluoro-4-methylpyridin-2-amine;7-[[(5-chloro-3-fluoro-4-methyl-2-pyridinyl)amino]-(2,3-dichlorophenyl)methyl]quinolin-8-ol;2,3-dichlorobenzaldehyde;quinolin-8-ol
SMILESCc1c(Cl)cnc(N)c1F.Cc1c(Cl)cnc(NC(c2cccc(Cl)c2Cl)c2ccc3cccnc3c2O)c1F.O=Cc1cccc(Cl)c1Cl.Oc1cccc2cccnc12
InChIInChI=1S/C22H15Cl3FN3O.C9H7NO.C7H4Cl2O.C6H6ClFN2/c1-11-16(24)10-28-22(18(11)26)29-20(13-5-2-6-15(23)17(13)25)14-8-7-12-4-3-9-27-19(12)21(14)30;11-8-5-1-3-7-4-2-6-10-9(7)8;8-6-3-1-2-5(4-10)7(6)9;1-3-4(7)2-10-6(9)5(3)8/h2-10,20,30H,1H3,(H,28,29);1-6,11H;1-4H;2H,1H3,(H2,9,10)
InChIKeyAHJKJKRVZHMDJW-UHFFFAOYSA-N
MW943.49 g/mol
LogP13.46
Rot. Bonds5

About 5-chloro-3-fluoro-4-methylpyridin-2-amine;7-[[(5-chloro-3-fluoro-4-methyl-2-pyridinyl)amino]-(2,3-dichlorophenyl)methyl]quinolin-8-ol;2,3-dichlorobenzaldehyde;quinolin-8-ol

5-chloro-3-fluoro-4-methylpyridin-2-amine;7-[[(5-chloro-3-fluoro-4-methyl-2-pyridinyl)amino]-(2,3-dichlorophenyl)methyl]quinolin-8-ol;2,3-dichlorobenzaldehyde;quinolin-8-ol (PubChem CID 157115701) has the molecular formula C44H32Cl6F2N6O3 and a molecular weight of 943.49 g/mol. Its IUPAC name is 5-chloro-3-fluoro-4-methylpyridin-2-amine;7-[[(5-chloro-3-fluoro-4-methyl-2-pyridinyl)amino]-(2,3-dichlorophenyl)methyl]quinolin-8-ol;2,3-dichlorobenzaldehyde;quinolin-8-ol.

Molecular Properties

Compound Name5-chloro-3-fluoro-4-methylpyridin-2-amine;7-[[(5-chloro-3-fluoro-4-methyl-2-pyridinyl)amino]-(2,3-dichlorophenyl)methyl]quinolin-8-ol;2,3-dichlorobenzaldehyde;quinolin-8-ol
PubChem CID157115701
Molecular FormulaC44H32Cl6F2N6O3
Molecular Weight943.49 g/mol
Exact Mass940.06
IUPAC Name5-chloro-3-fluoro-4-methylpyridin-2-amine;7-[[(5-chloro-3-fluoro-4-methyl-2-pyridinyl)amino]-(2,3-dichlorophenyl)methyl]quinolin-8-ol;2,3-dichlorobenzaldehyde;quinolin-8-ol
SMILESCc1c(Cl)cnc(N)c1F.Cc1c(Cl)cnc(NC(c2cccc(Cl)c2Cl)c2ccc3cccnc3c2O)c1F.O=Cc1cccc(Cl)c1Cl.Oc1cccc2cccnc12
InChIInChI=1S/C22H15Cl3FN3O.C9H7NO.C7H4Cl2O.C6H6ClFN2/c1-11-16(24)10-28-22(18(11)26)29-20(13-5-2-6-15(23)17(13)25)14-8-7-12-4-3-9-27-19(12)21(14)30;11-8-5-1-3-7-4-2-6-10-9(7)8;8-6-3-1-2-5(4-10)7(6)9;1-3-4(7)2-10-6(9)5(3)8/h2-10,20,30H,1H3,(H,28,29);1-6,11H;1-4H;2H,1H3,(H2,9,10)
InChIKeyAHJKJKRVZHMDJW-UHFFFAOYSA-N
XLogP13.46
TPSA147.14 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500943.49
LogP ≤ 513.46
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'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-fluoro-4-methylpyridin-2-amine;7-[[(5-chloro-3-fluoro-4-methyl-2-pyridinyl)amino]-(2,3-dichlorophenyl)methyl]quinolin-8-ol;2,3-dichlorobenzaldehyde;quinolin-8-ol?
The IUPAC name of 5-chloro-3-fluoro-4-methylpyridin-2-amine;7-[[(5-chloro-3-fluoro-4-methyl-2-pyridinyl)amino]-(2,3-dichlorophenyl)methyl]quinolin-8-ol;2,3-dichlorobenzaldehyde;quinolin-8-ol (CID 157115701) is 5-chloro-3-fluoro-4-methylpyridin-2-amine;7-[[(5-chloro-3-fluoro-4-methyl-2-pyridinyl)amino]-(2,3-dichlorophenyl)methyl]quinolin-8-ol;2,3-dichlorobenzaldehyde;quinolin-8-ol.
What is the SMILES notation for 5-chloro-3-fluoro-4-methylpyridin-2-amine;7-[[(5-chloro-3-fluoro-4-methyl-2-pyridinyl)amino]-(2,3-dichlorophenyl)methyl]quinolin-8-ol;2,3-dichlorobenzaldehyde;quinolin-8-ol?
The canonical SMILES for 5-chloro-3-fluoro-4-methylpyridin-2-amine;7-[[(5-chloro-3-fluoro-4-methyl-2-pyridinyl)amino]-(2,3-dichlorophenyl)methyl]quinolin-8-ol;2,3-dichlorobenzaldehyde;quinolin-8-ol is Cc1c(Cl)cnc(N)c1F.Cc1c(Cl)cnc(NC(c2cccc(Cl)c2Cl)c2ccc3cccnc3c2O)c1F.O=Cc1cccc(Cl)c1Cl.Oc1cccc2cccnc12.
What is the InChIKey of 5-chloro-3-fluoro-4-methylpyridin-2-amine;7-[[(5-chloro-3-fluoro-4-methyl-2-pyridinyl)amino]-(2,3-dichlorophenyl)methyl]quinolin-8-ol;2,3-dichlorobenzaldehyde;quinolin-8-ol?
The InChIKey is AHJKJKRVZHMDJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15Cl3FN3O.C9H7NO.C7H4Cl2O.C6H6ClFN2/c1-11-16(24)10-28-22(18(11)26)29-20(13-5-2-6-15(23)17(13)25)14-8-7-12-4-3-9-27-19(12)21(14)30;11-8-5-1-3-7-4-2-6-10-9(7)8;8-6-3-1-2-5(4-10)7(6)9;1-3-4(7)2-10-6(9)5(3)8/h2-10,20,30H,1H3,(H,28,29);1-6,11H;1-4H;2H,1H3,(H2,9,10).
What are the key properties of 5-chloro-3-fluoro-4-methylpyridin-2-amine;7-[[(5-chloro-3-fluoro-4-methyl-2-pyridinyl)amino]-(2,3-dichlorophenyl)methyl]quinolin-8-ol;2,3-dichlorobenzaldehyde;quinolin-8-ol?
5-chloro-3-fluoro-4-methylpyridin-2-amine;7-[[(5-chloro-3-fluoro-4-methyl-2-pyridinyl)amino]-(2,3-dichlorophenyl)methyl]quinolin-8-ol;2,3-dichlorobenzaldehyde;quinolin-8-ol has a molecular weight of 943.49 g/mol, XLogP of 13.46, 5 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-fluoro-4-methylpyridin-2-amine;7-[[(5-chloro-3-fluoro-4-methyl-2-pyridinyl)amino]-(2,3-dichlorophenyl)methyl]quinolin-8-ol;2,3-dichlorobenzaldehyde;quinolin-8-ol is sourced from PubChem (CID 157115701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).