5-bromo-6-chloro-N-[(4-chlorophenyl)methyl]pyridin-2-amine;4-chlorobenzaldehyde;2-chloro-6-[2-(4-chlorophenyl)ethyl]pyridine-3-carbaldehyde;2-chloro-6-[(4-chlorophenyl)methylamino]pyridine-3-carbaldehyde;6-chloro-N-[(4-chlorophenyl)methyl]pyridin-2-amine;6-chloropyridin-2-amine;1H-pyrrolo[2,3-b]pyridine

C70H56BrCl10N11O3 — CID 158273068

IUPAC5-bromo-6-chloro-N-[(4-chlorophenyl)methyl]pyridin-2-amine;4-chlorobenzaldehyde;2-chloro-6-[2-(4-chlorophenyl)ethyl]pyridine-3-carbaldehyde;2-chloro-6-[(4-chlorophenyl)methylamino]pyridine-3-carbaldehyde;6-chloro-N-[(4-chlorophenyl)methyl]pyridin-2-amine;6-chloropyridin-2-amine;1H-pyrrolo[2,3-b]pyridine
SMILESClc1ccc(CNc2ccc(Br)c(Cl)n2)cc1.Clc1ccc(CNc2cccc(Cl)n2)cc1.Nc1cccc(Cl)n1.O=Cc1ccc(CCc2ccc(Cl)cc2)nc1Cl.O=Cc1ccc(Cl)cc1.O=Cc1ccc(NCc2ccc(Cl)cc2)nc1Cl.c1cnc2[nH]ccc2c1
InChIInChI=1S/C14H11Cl2NO.C13H10Cl2N2O.C12H9BrCl2N2.C12H10Cl2N2.C7H5ClO.C7H6N2.C5H5ClN2/c15-12-5-1-10(2-6-12)3-7-13-8-4-11(9-18)14(16)17-13;14-11-4-1-9(2-5-11)7-16-12-6-3-10(8-18)13(15)17-12;13-10-5-6-11(17-12(10)15)16-7-8-1-3-9(14)4-2-8;13-10-6-4-9(5-7-10)8-15-12-3-1-2-11(14)16-12;8-7-3-1-6(5-9)2-4-7;1-2-6-3-5-9-7(6)8-4-1;6-4-2-1-3-5(7)8-4/h1-2,4-6,8-9H,3,7H2;1-6,8H,7H2,(H,16,17);1-6H,7H2,(H,16,17);1-7H,8H2,(H,15,16);1-5H;1-5H,(H,8,9);1-3H,(H2,7,8)
InChIKeyGJGYNBWETHNNNX-UHFFFAOYSA-N
MW1533.73 g/mol
LogP21.60
Rot. Bonds15

About 5-bromo-6-chloro-N-[(4-chlorophenyl)methyl]pyridin-2-amine;4-chlorobenzaldehyde;2-chloro-6-[2-(4-chlorophenyl)ethyl]pyridine-3-carbaldehyde;2-chloro-6-[(4-chlorophenyl)methylamino]pyridine-3-carbaldehyde;6-chloro-N-[(4-chlorophenyl)methyl]pyridin-2-amine;6-chloropyridin-2-amine;1H-pyrrolo[2,3-b]pyridine

5-bromo-6-chloro-N-[(4-chlorophenyl)methyl]pyridin-2-amine;4-chlorobenzaldehyde;2-chloro-6-[2-(4-chlorophenyl)ethyl]pyridine-3-carbaldehyde;2-chloro-6-[(4-chlorophenyl)methylamino]pyridine-3-carbaldehyde;6-chloro-N-[(4-chlorophenyl)methyl]pyridin-2-amine;6-chloropyridin-2-amine;1H-pyrrolo[2,3-b]pyridine (PubChem CID 158273068) has the molecular formula C70H56BrCl10N11O3 and a molecular weight of 1533.73 g/mol. Its IUPAC name is 5-bromo-6-chloro-N-[(4-chlorophenyl)methyl]pyridin-2-amine;4-chlorobenzaldehyde;2-chloro-6-[2-(4-chlorophenyl)ethyl]pyridine-3-carbaldehyde;2-chloro-6-[(4-chlorophenyl)methylamino]pyridine-3-carbaldehyde;6-chloro-N-[(4-chlorophenyl)methyl]pyridin-2-amine;6-chloropyridin-2-amine;1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name5-bromo-6-chloro-N-[(4-chlorophenyl)methyl]pyridin-2-amine;4-chlorobenzaldehyde;2-chloro-6-[2-(4-chlorophenyl)ethyl]pyridine-3-carbaldehyde;2-chloro-6-[(4-chlorophenyl)methylamino]pyridine-3-carbaldehyde;6-chloro-N-[(4-chlorophenyl)methyl]pyridin-2-amine;6-chloropyridin-2-amine;1H-pyrrolo[2,3-b]pyridine
PubChem CID158273068
Molecular FormulaC70H56BrCl10N11O3
Molecular Weight1533.73 g/mol
Exact Mass1527.06
IUPAC Name5-bromo-6-chloro-N-[(4-chlorophenyl)methyl]pyridin-2-amine;4-chlorobenzaldehyde;2-chloro-6-[2-(4-chlorophenyl)ethyl]pyridine-3-carbaldehyde;2-chloro-6-[(4-chlorophenyl)methylamino]pyridine-3-carbaldehyde;6-chloro-N-[(4-chlorophenyl)methyl]pyridin-2-amine;6-chloropyridin-2-amine;1H-pyrrolo[2,3-b]pyridine
SMILESClc1ccc(CNc2ccc(Br)c(Cl)n2)cc1.Clc1ccc(CNc2cccc(Cl)n2)cc1.Nc1cccc(Cl)n1.O=Cc1ccc(CCc2ccc(Cl)cc2)nc1Cl.O=Cc1ccc(Cl)cc1.O=Cc1ccc(NCc2ccc(Cl)cc2)nc1Cl.c1cnc2[nH]ccc2c1
InChIInChI=1S/C14H11Cl2NO.C13H10Cl2N2O.C12H9BrCl2N2.C12H10Cl2N2.C7H5ClO.C7H6N2.C5H5ClN2/c15-12-5-1-10(2-6-12)3-7-13-8-4-11(9-18)14(16)17-13;14-11-4-1-9(2-5-11)7-16-12-6-3-10(8-18)13(15)17-12;13-10-5-6-11(17-12(10)15)16-7-8-1-3-9(14)4-2-8;13-10-6-4-9(5-7-10)8-15-12-3-1-2-11(14)16-12;8-7-3-1-6(5-9)2-4-7;1-2-6-3-5-9-7(6)8-4-1;6-4-2-1-3-5(7)8-4/h1-2,4-6,8-9H,3,7H2;1-6,8H,7H2,(H,16,17);1-6H,7H2,(H,16,17);1-7H,8H2,(H,15,16);1-5H;1-5H,(H,8,9);1-3H,(H2,7,8)
InChIKeyGJGYNBWETHNNNX-UHFFFAOYSA-N
XLogP21.60
TPSA206.45 Ų
H-Bond Donors5
H-Bond Acceptors13
Rotatable Bonds15
Heavy Atoms95
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001533.73
LogP ≤ 521.60
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 5-bromo-6-chloro-N-[(4-chlorophenyl)methyl]pyridin-2-amine;4-chlorobenzaldehyde;2-chloro-6-[2-(4-chlorophenyl)ethyl]pyridine-3-carbaldehyde;2-chloro-6-[(4-chlorophenyl)methylamino]pyridine-3-carbaldehyde;6-chloro-N-[(4-chlorophenyl)methyl]pyridin-2-amine;6-chloropyridin-2-amine;1H-pyrrolo[2,3-b]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-chloro-N-[(4-chlorophenyl)methyl]pyridin-2-amine;4-chlorobenzaldehyde;2-chloro-6-[2-(4-chlorophenyl)ethyl]pyridine-3-carbaldehyde;2-chloro-6-[(4-chlorophenyl)methylamino]pyridine-3-carbaldehyde;6-chloro-N-[(4-chlorophenyl)methyl]pyridin-2-amine;6-chloropyridin-2-amine;1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 5-bromo-6-chloro-N-[(4-chlorophenyl)methyl]pyridin-2-amine;4-chlorobenzaldehyde;2-chloro-6-[2-(4-chlorophenyl)ethyl]pyridine-3-carbaldehyde;2-chloro-6-[(4-chlorophenyl)methylamino]pyridine-3-carbaldehyde;6-chloro-N-[(4-chlorophenyl)methyl]pyridin-2-amine;6-chloropyridin-2-amine;1H-pyrrolo[2,3-b]pyridine (CID 158273068) is 5-bromo-6-chloro-N-[(4-chlorophenyl)methyl]pyridin-2-amine;4-chlorobenzaldehyde;2-chloro-6-[2-(4-chlorophenyl)ethyl]pyridine-3-carbaldehyde;2-chloro-6-[(4-chlorophenyl)methylamino]pyridine-3-carbaldehyde;6-chloro-N-[(4-chlorophenyl)methyl]pyridin-2-amine;6-chloropyridin-2-amine;1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 5-bromo-6-chloro-N-[(4-chlorophenyl)methyl]pyridin-2-amine;4-chlorobenzaldehyde;2-chloro-6-[2-(4-chlorophenyl)ethyl]pyridine-3-carbaldehyde;2-chloro-6-[(4-chlorophenyl)methylamino]pyridine-3-carbaldehyde;6-chloro-N-[(4-chlorophenyl)methyl]pyridin-2-amine;6-chloropyridin-2-amine;1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 5-bromo-6-chloro-N-[(4-chlorophenyl)methyl]pyridin-2-amine;4-chlorobenzaldehyde;2-chloro-6-[2-(4-chlorophenyl)ethyl]pyridine-3-carbaldehyde;2-chloro-6-[(4-chlorophenyl)methylamino]pyridine-3-carbaldehyde;6-chloro-N-[(4-chlorophenyl)methyl]pyridin-2-amine;6-chloropyridin-2-amine;1H-pyrrolo[2,3-b]pyridine is Clc1ccc(CNc2ccc(Br)c(Cl)n2)cc1.Clc1ccc(CNc2cccc(Cl)n2)cc1.Nc1cccc(Cl)n1.O=Cc1ccc(CCc2ccc(Cl)cc2)nc1Cl.O=Cc1ccc(Cl)cc1.O=Cc1ccc(NCc2ccc(Cl)cc2)nc1Cl.c1cnc2[nH]ccc2c1.
What is the InChIKey of 5-bromo-6-chloro-N-[(4-chlorophenyl)methyl]pyridin-2-amine;4-chlorobenzaldehyde;2-chloro-6-[2-(4-chlorophenyl)ethyl]pyridine-3-carbaldehyde;2-chloro-6-[(4-chlorophenyl)methylamino]pyridine-3-carbaldehyde;6-chloro-N-[(4-chlorophenyl)methyl]pyridin-2-amine;6-chloropyridin-2-amine;1H-pyrrolo[2,3-b]pyridine?
The InChIKey is GJGYNBWETHNNNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2NO.C13H10Cl2N2O.C12H9BrCl2N2.C12H10Cl2N2.C7H5ClO.C7H6N2.C5H5ClN2/c15-12-5-1-10(2-6-12)3-7-13-8-4-11(9-18)14(16)17-13;14-11-4-1-9(2-5-11)7-16-12-6-3-10(8-18)13(15)17-12;13-10-5-6-11(17-12(10)15)16-7-8-1-3-9(14)4-2-8;13-10-6-4-9(5-7-10)8-15-12-3-1-2-11(14)16-12;8-7-3-1-6(5-9)2-4-7;1-2-6-3-5-9-7(6)8-4-1;6-4-2-1-3-5(7)8-4/h1-2,4-6,8-9H,3,7H2;1-6,8H,7H2,(H,16,17);1-6H,7H2,(H,16,17);1-7H,8H2,(H,15,16);1-5H;1-5H,(H,8,9);1-3H,(H2,7,8).
What are the key properties of 5-bromo-6-chloro-N-[(4-chlorophenyl)methyl]pyridin-2-amine;4-chlorobenzaldehyde;2-chloro-6-[2-(4-chlorophenyl)ethyl]pyridine-3-carbaldehyde;2-chloro-6-[(4-chlorophenyl)methylamino]pyridine-3-carbaldehyde;6-chloro-N-[(4-chlorophenyl)methyl]pyridin-2-amine;6-chloropyridin-2-amine;1H-pyrrolo[2,3-b]pyridine?
5-bromo-6-chloro-N-[(4-chlorophenyl)methyl]pyridin-2-amine;4-chlorobenzaldehyde;2-chloro-6-[2-(4-chlorophenyl)ethyl]pyridine-3-carbaldehyde;2-chloro-6-[(4-chlorophenyl)methylamino]pyridine-3-carbaldehyde;6-chloro-N-[(4-chlorophenyl)methyl]pyridin-2-amine;6-chloropyridin-2-amine;1H-pyrrolo[2,3-b]pyridine has a molecular weight of 1533.73 g/mol, XLogP of 21.60, 15 rotatable bonds, 5 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-chloro-N-[(4-chlorophenyl)methyl]pyridin-2-amine;4-chlorobenzaldehyde;2-chloro-6-[2-(4-chlorophenyl)ethyl]pyridine-3-carbaldehyde;2-chloro-6-[(4-chlorophenyl)methylamino]pyridine-3-carbaldehyde;6-chloro-N-[(4-chlorophenyl)methyl]pyridin-2-amine;6-chloropyridin-2-amine;1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 158273068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).