4-chloro-5-(3-chloro-4-pyridinyl)pyridin-2-amine;4-chloro-5-iodopyridin-2-amine;(3-chloro-4-pyridinyl)boronic acid

C20H16BCl4IN6O2 — CID 157160844

IUPAC4-chloro-5-(3-chloro-4-pyridinyl)pyridin-2-amine;4-chloro-5-iodopyridin-2-amine;(3-chloro-4-pyridinyl)boronic acid
SMILESNc1cc(Cl)c(-c2ccncc2Cl)cn1.Nc1cc(Cl)c(I)cn1.OB(O)c1ccncc1Cl
InChIInChI=1S/C10H7Cl2N3.C5H5BClNO2.C5H4ClIN2/c11-8-3-10(13)15-4-7(8)6-1-2-14-5-9(6)12;7-5-3-8-2-1-4(5)6(9)10;6-3-1-5(8)9-2-4(3)7/h1-5H,(H2,13,15);1-3,9-10H;1-2H,(H2,8,9)
InChIKeyAMIWPZARDBYDDZ-UHFFFAOYSA-N
MW651.92 g/mol
LogP4.37
Rot. Bonds2

About 4-chloro-5-(3-chloro-4-pyridinyl)pyridin-2-amine;4-chloro-5-iodopyridin-2-amine;(3-chloro-4-pyridinyl)boronic acid

4-chloro-5-(3-chloro-4-pyridinyl)pyridin-2-amine;4-chloro-5-iodopyridin-2-amine;(3-chloro-4-pyridinyl)boronic acid (PubChem CID 157160844) has the molecular formula C20H16BCl4IN6O2 and a molecular weight of 651.92 g/mol. Its IUPAC name is 4-chloro-5-(3-chloro-4-pyridinyl)pyridin-2-amine;4-chloro-5-iodopyridin-2-amine;(3-chloro-4-pyridinyl)boronic acid.

Molecular Properties

Compound Name4-chloro-5-(3-chloro-4-pyridinyl)pyridin-2-amine;4-chloro-5-iodopyridin-2-amine;(3-chloro-4-pyridinyl)boronic acid
PubChem CID157160844
Molecular FormulaC20H16BCl4IN6O2
Molecular Weight651.92 g/mol
Exact Mass649.92
IUPAC Name4-chloro-5-(3-chloro-4-pyridinyl)pyridin-2-amine;4-chloro-5-iodopyridin-2-amine;(3-chloro-4-pyridinyl)boronic acid
SMILESNc1cc(Cl)c(-c2ccncc2Cl)cn1.Nc1cc(Cl)c(I)cn1.OB(O)c1ccncc1Cl
InChIInChI=1S/C10H7Cl2N3.C5H5BClNO2.C5H4ClIN2/c11-8-3-10(13)15-4-7(8)6-1-2-14-5-9(6)12;7-5-3-8-2-1-4(5)6(9)10;6-3-1-5(8)9-2-4(3)7/h1-5H,(H2,13,15);1-3,9-10H;1-2H,(H2,8,9)
InChIKeyAMIWPZARDBYDDZ-UHFFFAOYSA-N
XLogP4.37
TPSA144.06 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500651.92
LogP ≤ 54.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

6-Chloropyridin-2-amine;methane;[6-(trifluoromethyl)-3-pyridinyl]boronic acid;6-[6-(trifluoromethyl)-3-pyridinyl]pyridin-2-amine
CID 158173941
2,5-Dichloro-4-iodopyridine;5-(2,5-dichloro-4-pyridinyl)-2-(trifluoromethyl)pyrimidine;[2-(trifluoromethyl)pyrimidin-5-yl]boronic acid
CID 159901405
6-Chloropyridin-2-amine;[6-(trifluoromethyl)-3-pyridinyl]boronic acid;6-[6-(trifluoromethyl)-3-pyridinyl]pyridin-2-amine
CID 162126233
5-chloro-N-piperidin-4-yl-4-[2-(pyridin-4-ylmethylamino)-4-pyridinyl]pyridin-2-amine
CID 123231805
Cyclohexen-1-ylboronic acid;5-(cyclohexen-1-yl)pyridin-2-amine;bis(5-cyclohexylpyridin-2-amine);5-iodopyridin-2-amine
CID 158266060
2,5-Dichloropyridine;3-(2,5-dichloro-4-pyridinyl)-5-fluoropyridin-2-amine;(2,5-dichloro-4-pyridinyl)-trimethylstannane;5-fluoro-3-iodopyridin-2-amine;methane
CID 159121792
2-Bromo-4-chloro-3-(3-ethylphenyl)pyridine;2-bromo-4-chloro-3-iodopyridine;2-bromo-4-chloropyridine;4-chloropyridin-2-amine;(3-ethylphenyl)boronic acid
CID 159213447
4-Chloro-6-(2-phenylethynyl)pyridin-2-amine;6-(2-phenylethynyl)-4-pyridin-4-ylpyridin-2-amine;pyridin-4-ylboronic acid
CID 159491579
4-(2-Chloro-4-pyridinyl)pyridin-2-amine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
CID 161721857
2-Chloro-4-ethyl-5-iodopyridine;4-ethyl-5-iodopyridin-2-amine;4-ethylpyridin-2-amine
CID 162231332
5-Tert-butyl-3-chloropyridin-2-amine;6-tert-butyl-3-chloropyridin-2-amine;5-tert-butylpyridin-2-amine;6-tert-butylpyridin-2-amine
CID 165039587

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(3-chloro-4-pyridinyl)pyridin-2-amine;4-chloro-5-iodopyridin-2-amine;(3-chloro-4-pyridinyl)boronic acid?
The IUPAC name of 4-chloro-5-(3-chloro-4-pyridinyl)pyridin-2-amine;4-chloro-5-iodopyridin-2-amine;(3-chloro-4-pyridinyl)boronic acid (CID 157160844) is 4-chloro-5-(3-chloro-4-pyridinyl)pyridin-2-amine;4-chloro-5-iodopyridin-2-amine;(3-chloro-4-pyridinyl)boronic acid.
What is the SMILES notation for 4-chloro-5-(3-chloro-4-pyridinyl)pyridin-2-amine;4-chloro-5-iodopyridin-2-amine;(3-chloro-4-pyridinyl)boronic acid?
The canonical SMILES for 4-chloro-5-(3-chloro-4-pyridinyl)pyridin-2-amine;4-chloro-5-iodopyridin-2-amine;(3-chloro-4-pyridinyl)boronic acid is Nc1cc(Cl)c(-c2ccncc2Cl)cn1.Nc1cc(Cl)c(I)cn1.OB(O)c1ccncc1Cl.
What is the InChIKey of 4-chloro-5-(3-chloro-4-pyridinyl)pyridin-2-amine;4-chloro-5-iodopyridin-2-amine;(3-chloro-4-pyridinyl)boronic acid?
The InChIKey is AMIWPZARDBYDDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2N3.C5H5BClNO2.C5H4ClIN2/c11-8-3-10(13)15-4-7(8)6-1-2-14-5-9(6)12;7-5-3-8-2-1-4(5)6(9)10;6-3-1-5(8)9-2-4(3)7/h1-5H,(H2,13,15);1-3,9-10H;1-2H,(H2,8,9).
What are the key properties of 4-chloro-5-(3-chloro-4-pyridinyl)pyridin-2-amine;4-chloro-5-iodopyridin-2-amine;(3-chloro-4-pyridinyl)boronic acid?
4-chloro-5-(3-chloro-4-pyridinyl)pyridin-2-amine;4-chloro-5-iodopyridin-2-amine;(3-chloro-4-pyridinyl)boronic acid has a molecular weight of 651.92 g/mol, XLogP of 4.37, 2 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(3-chloro-4-pyridinyl)pyridin-2-amine;4-chloro-5-iodopyridin-2-amine;(3-chloro-4-pyridinyl)boronic acid is sourced from PubChem (CID 157160844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).