2-chloro-5-(2-chloro-3-pyridinyl)pyridin-4-amine;2-chloro-5-iodopyridin-4-amine;(2-chloro-3-pyridinyl)boronic acid;5-chloro-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene

C30H22BCl5IN9O2 — CID 157211332

IUPAC2-chloro-5-(2-chloro-3-pyridinyl)pyridin-4-amine;2-chloro-5-iodopyridin-4-amine;(2-chloro-3-pyridinyl)boronic acid;5-chloro-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
SMILESClc1cc2[nH]c3ncccc3c2cn1.Nc1cc(Cl)ncc1-c1cccnc1Cl.Nc1cc(Cl)ncc1I.OB(O)c1cccnc1Cl
InChIInChI=1S/C10H7Cl2N3.C10H6ClN3.C5H5BClNO2.C5H4ClIN2/c11-9-4-8(13)7(5-15-9)6-2-1-3-14-10(6)12;11-9-4-8-7(5-13-9)6-2-1-3-12-10(6)14-8;7-5-4(6(9)10)2-1-3-8-5;6-5-1-4(8)3(7)2-9-5/h1-5H,(H2,13,15);1-5H,(H,12,14);1-3,9-10H;1-2H,(H2,8,9)
InChIKeyARXORWQADPWRAE-UHFFFAOYSA-N
MW855.55 g/mol
LogP7.13
Rot. Bonds2

About 2-chloro-5-(2-chloro-3-pyridinyl)pyridin-4-amine;2-chloro-5-iodopyridin-4-amine;(2-chloro-3-pyridinyl)boronic acid;5-chloro-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene

2-chloro-5-(2-chloro-3-pyridinyl)pyridin-4-amine;2-chloro-5-iodopyridin-4-amine;(2-chloro-3-pyridinyl)boronic acid;5-chloro-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene (PubChem CID 157211332) has the molecular formula C30H22BCl5IN9O2 and a molecular weight of 855.55 g/mol. Its IUPAC name is 2-chloro-5-(2-chloro-3-pyridinyl)pyridin-4-amine;2-chloro-5-iodopyridin-4-amine;(2-chloro-3-pyridinyl)boronic acid;5-chloro-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene.

Molecular Properties

Compound Name2-chloro-5-(2-chloro-3-pyridinyl)pyridin-4-amine;2-chloro-5-iodopyridin-4-amine;(2-chloro-3-pyridinyl)boronic acid;5-chloro-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
PubChem CID157211332
Molecular FormulaC30H22BCl5IN9O2
Molecular Weight855.55 g/mol
Exact Mass852.95
IUPAC Name2-chloro-5-(2-chloro-3-pyridinyl)pyridin-4-amine;2-chloro-5-iodopyridin-4-amine;(2-chloro-3-pyridinyl)boronic acid;5-chloro-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
SMILESClc1cc2[nH]c3ncccc3c2cn1.Nc1cc(Cl)ncc1-c1cccnc1Cl.Nc1cc(Cl)ncc1I.OB(O)c1cccnc1Cl
InChIInChI=1S/C10H7Cl2N3.C10H6ClN3.C5H5BClNO2.C5H4ClIN2/c11-9-4-8(13)7(5-15-9)6-2-1-3-14-10(6)12;11-9-4-8-7(5-13-9)6-2-1-3-12-10(6)14-8;7-5-4(6(9)10)2-1-3-8-5;6-5-1-4(8)3(7)2-9-5/h1-5H,(H2,13,15);1-5H,(H,12,14);1-3,9-10H;1-2H,(H2,8,9)
InChIKeyARXORWQADPWRAE-UHFFFAOYSA-N
XLogP7.13
TPSA185.63 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds2
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500855.55
LogP ≤ 57.13
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 2-chloro-5-(2-chloro-3-pyridinyl)pyridin-4-amine;2-chloro-5-iodopyridin-4-amine;(2-chloro-3-pyridinyl)boronic acid;5-chloro-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene with MolForge

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Related Compounds

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2-Pyrimidinamine, 4-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)
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4-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine
CID 129206987
4-[6-Chloro-3-(2-chloro-3-pyridinyl)pyrrolo[3,2-c]pyridin-1-yl]pyrimidin-2-amine
CID 71580917
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CID 122193408
trans-N-[4-chloro-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]cyclohexane-1,4-diamine
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4-Chloro-N-cyclohexyl-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyrimidinamine
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4-chloro-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
CID 49830285
1-N-[4-chloro-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]cyclohexane-1,3-diamine
CID 49830294
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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(2-chloro-3-pyridinyl)pyridin-4-amine;2-chloro-5-iodopyridin-4-amine;(2-chloro-3-pyridinyl)boronic acid;5-chloro-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene?
The IUPAC name of 2-chloro-5-(2-chloro-3-pyridinyl)pyridin-4-amine;2-chloro-5-iodopyridin-4-amine;(2-chloro-3-pyridinyl)boronic acid;5-chloro-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene (CID 157211332) is 2-chloro-5-(2-chloro-3-pyridinyl)pyridin-4-amine;2-chloro-5-iodopyridin-4-amine;(2-chloro-3-pyridinyl)boronic acid;5-chloro-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene.
What is the SMILES notation for 2-chloro-5-(2-chloro-3-pyridinyl)pyridin-4-amine;2-chloro-5-iodopyridin-4-amine;(2-chloro-3-pyridinyl)boronic acid;5-chloro-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene?
The canonical SMILES for 2-chloro-5-(2-chloro-3-pyridinyl)pyridin-4-amine;2-chloro-5-iodopyridin-4-amine;(2-chloro-3-pyridinyl)boronic acid;5-chloro-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene is Clc1cc2[nH]c3ncccc3c2cn1.Nc1cc(Cl)ncc1-c1cccnc1Cl.Nc1cc(Cl)ncc1I.OB(O)c1cccnc1Cl.
What is the InChIKey of 2-chloro-5-(2-chloro-3-pyridinyl)pyridin-4-amine;2-chloro-5-iodopyridin-4-amine;(2-chloro-3-pyridinyl)boronic acid;5-chloro-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene?
The InChIKey is ARXORWQADPWRAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2N3.C10H6ClN3.C5H5BClNO2.C5H4ClIN2/c11-9-4-8(13)7(5-15-9)6-2-1-3-14-10(6)12;11-9-4-8-7(5-13-9)6-2-1-3-12-10(6)14-8;7-5-4(6(9)10)2-1-3-8-5;6-5-1-4(8)3(7)2-9-5/h1-5H,(H2,13,15);1-5H,(H,12,14);1-3,9-10H;1-2H,(H2,8,9).
What are the key properties of 2-chloro-5-(2-chloro-3-pyridinyl)pyridin-4-amine;2-chloro-5-iodopyridin-4-amine;(2-chloro-3-pyridinyl)boronic acid;5-chloro-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene?
2-chloro-5-(2-chloro-3-pyridinyl)pyridin-4-amine;2-chloro-5-iodopyridin-4-amine;(2-chloro-3-pyridinyl)boronic acid;5-chloro-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene has a molecular weight of 855.55 g/mol, XLogP of 7.13, 2 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(2-chloro-3-pyridinyl)pyridin-4-amine;2-chloro-5-iodopyridin-4-amine;(2-chloro-3-pyridinyl)boronic acid;5-chloro-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene is sourced from PubChem (CID 157211332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).