2-chloro-4-iodopyridine;(2R)-2-[1-(2-chloro-4-pyridinyl)indazol-6-yl]spiro[2.2]pentane-2-carbonitrile;1-(2-chloro-4-pyridinyl)-6-[(2S)-2-isocyanospiro[2.2]pentan-2-yl]indazole;(2R)-2-[1-[2-(1-ethylpyrazol-4-yl)-4-pyridinyl]indazol-6-yl]spiro[2.2]pentane-2-carbonitrile;1-ethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;6-[(2S)-2-isocyanospiro[2.2]pentan-2-yl]-1H-indazole;trans-(1S,2S)-1-N,2-N-dimethylcyclohexane-1,2-diamine

C96H97BCl3IN22O2 — CID 158606301

About 2-chloro-4-iodopyridine;(2R)-2-[1-(2-chloro-4-pyridinyl)indazol-6-yl]spiro[2.2]pentane-2-carbonitrile;1-(2-chloro-4-pyridinyl)-6-[(2S)-2-isocyanospiro[2.2]pentan-2-yl]indazole;(2R)-2-[1-[2-(1-ethylpyrazol-4-yl)-4-pyridinyl]indazol-6-yl]spiro[2.2]pentane-2-carbonitrile;1-ethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;6-[(2S)-2-isocyanospiro[2.2]pentan-2-yl]-1H-indazole;trans-(1S,2S)-1-N,2-N-dimethylcyclohexane-1,2-diamine

2-chloro-4-iodopyridine;(2R)-2-[1-(2-chloro-4-pyridinyl)indazol-6-yl]spiro[2.2]pentane-2-carbonitrile;1-(2-chloro-4-pyridinyl)-6-[(2S)-2-isocyanospiro[2.2]pentan-2-yl]indazole;(2R)-2-[1-[2-(1-ethylpyrazol-4-yl)-4-pyridinyl]indazol-6-yl]spiro[2.2]pentane-2-carbonitrile;1-ethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;6-[(2S)-2-isocyanospiro[2.2]pentan-2-yl]-1H-indazole;trans-(1S,2S)-1-N,2-N-dimethylcyclohexane-1,2-diamine (PubChem CID 158606301) has the molecular formula C96H97BCl3IN22O2 and a molecular weight of 1835.06 g/mol. Its IUPAC name is 2-chloro-4-iodopyridine;(2R)-2-[1-(2-chloro-4-pyridinyl)indazol-6-yl]spiro[2.2]pentane-2-carbonitrile;1-(2-chloro-4-pyridinyl)-6-[(2S)-2-isocyanospiro[2.2]pentan-2-yl]indazole;(2R)-2-[1-[2-(1-ethylpyrazol-4-yl)-4-pyridinyl]indazol-6-yl]spiro[2.2]pentane-2-carbonitrile;1-ethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;6-[(2S)-2-isocyanospiro[2.2]pentan-2-yl]-1H-indazole;trans-(1S,2S)-1-N,2-N-dimethylcyclohexane-1,2-diamine.

Molecular Properties

• Compound Name: 2-chloro-4-iodopyridine;(2R)-2-[1-(2-chloro-4-pyridinyl)indazol-6-yl]spiro[2.2]pentane-2-carbonitrile;1-(2-chloro-4-pyridinyl)-6-[(2S)-2-isocyanospiro[2.2]pentan-2-yl]indazole;(2R)-2-[1-[2-(1-ethylpyrazol-4-yl)-4-pyridinyl]indazol-6-yl]spiro[2.2]pentane-2-carbonitrile;1-ethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;6-[(2S)-2-isocyanospiro[2.2]pentan-2-yl]-1H-indazole;trans-(1S,2S)-1-N,2-N-dimethylcyclohexane-1,2-diamine
• PubChem CID: 158606301
• Molecular Formula: C96H97BCl3IN22O2
• Molecular Weight: 1835.06 g/mol
• Exact Mass: 1832.64
• IUPAC Name: 2-chloro-4-iodopyridine;(2R)-2-[1-(2-chloro-4-pyridinyl)indazol-6-yl]spiro[2.2]pentane-2-carbonitrile;1-(2-chloro-4-pyridinyl)-6-[(2S)-2-isocyanospiro[2.2]pentan-2-yl]indazole;(2R)-2-[1-[2-(1-ethylpyrazol-4-yl)-4-pyridinyl]indazol-6-yl]spiro[2.2]pentane-2-carbonitrile;1-ethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;6-[(2S)-2-isocyanospiro[2.2]pentan-2-yl]-1H-indazole;trans-(1S,2S)-1-N,2-N-dimethylcyclohexane-1,2-diamine
• SMILES: CCn1cc(-c2cc(-n3ncc4ccc([C@@]5(C#N)CC56CC6)cc43)ccn2)cn1.CCn1cc(B2OC(C)(C)C(C)(C)O2)cn1.CN[C@H]1CCCC[C@@H]1NC.Clc1cc(I)ccn1.N#C[C@]1(c2ccc3cnn(-c4ccnc(Cl)c4)c3c2)CC12CC2.[C-]#[N+][C@@]1(c2ccc3cn[nH]c3c2)CC12CC2.[C-]#[N+][C@@]1(c2ccc3cnn(-c4ccnc(Cl)c4)c3c2)CC12CC2
• InChI: InChI=1S/C23H20N6.2C18H13ClN4.C13H11N3.C11H19BN2O2.C8H18N2.C5H3ClIN/c1-2-28-13-17(12-26-28)20-10-19(5-8-25-20)29-21-9-18(4-3-16(21)11-27-29)23(15-24)14-22(23)6-7-22;1-20-18(11-17(18)5-6-17)13-3-2-12-10-22-23(15(12)8-13)14-4-7-21-16(19)9-14;19-16-8-14(3-6-21-16)23-15-7-13(2-1-12(15)9-22-23)18(11-20)10-17(18)4-5-17;1-14-13(8-12(13)4-5-12)10-3-2-9-7-15-16-11(9)6-10;1-6-14-8-9(7-13-14)12-15-10(2,3)11(4,5)16-12;1-9-7-5-3-4-6-8(7)10-2;6-5-3-4(7)1-2-8-5/h3-5,8-13H,2,6-7,14H2,1H3;2-4,7-10H,5-6,11H2;1-3,6-9H,4-5,10H2;2-3,6-7H,4-5,8H2,(H,15,16);7-8H,6H2,1-5H3;7-10H,3-6H2,1-2H3;1-3H/t23-;2*18-;13-;;7-,8-;/m0101.0./s1
• InChIKey: HWGSLYOWDYPMFG-TYSANRMDSA-N
• XLogP: 19.78
• TPSA: 268.16 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 21
• Rotatable Bonds: 13
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1835.06
LogP ≤ 5	19.78
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-iodopyridine;(2R)-2-[1-(2-chloro-4-pyridinyl)indazol-6-yl]spiro[2.2]pentane-2-carbonitrile;1-(2-chloro-4-pyridinyl)-6-[(2S)-2-isocyanospiro[2.2]pentan-2-yl]indazole;(2R)-2-[1-[2-(1-ethylpyrazol-4-yl)-4-pyridinyl]indazol-6-yl]spiro[2.2]pentane-2-carbonitrile;1-ethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;6-[(2S)-2-isocyanospiro[2.2]pentan-2-yl]-1H-indazole;trans-(1S,2S)-1-N,2-N-dimethylcyclohexane-1,2-diamine?

The IUPAC name of 2-chloro-4-iodopyridine;(2R)-2-[1-(2-chloro-4-pyridinyl)indazol-6-yl]spiro[2.2]pentane-2-carbonitrile;1-(2-chloro-4-pyridinyl)-6-[(2S)-2-isocyanospiro[2.2]pentan-2-yl]indazole;(2R)-2-[1-[2-(1-ethylpyrazol-4-yl)-4-pyridinyl]indazol-6-yl]spiro[2.2]pentane-2-carbonitrile;1-ethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;6-[(2S)-2-isocyanospiro[2.2]pentan-2-yl]-1H-indazole;trans-(1S,2S)-1-N,2-N-dimethylcyclohexane-1,2-diamine (CID 158606301) is 2-chloro-4-iodopyridine;(2R)-2-[1-(2-chloro-4-pyridinyl)indazol-6-yl]spiro[2.2]pentane-2-carbonitrile;1-(2-chloro-4-pyridinyl)-6-[(2S)-2-isocyanospiro[2.2]pentan-2-yl]indazole;(2R)-2-[1-[2-(1-ethylpyrazol-4-yl)-4-pyridinyl]indazol-6-yl]spiro[2.2]pentane-2-carbonitrile;1-ethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;6-[(2S)-2-isocyanospiro[2.2]pentan-2-yl]-1H-indazole;trans-(1S,2S)-1-N,2-N-dimethylcyclohexane-1,2-diamine.

What is the SMILES notation for 2-chloro-4-iodopyridine;(2R)-2-[1-(2-chloro-4-pyridinyl)indazol-6-yl]spiro[2.2]pentane-2-carbonitrile;1-(2-chloro-4-pyridinyl)-6-[(2S)-2-isocyanospiro[2.2]pentan-2-yl]indazole;(2R)-2-[1-[2-(1-ethylpyrazol-4-yl)-4-pyridinyl]indazol-6-yl]spiro[2.2]pentane-2-carbonitrile;1-ethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;6-[(2S)-2-isocyanospiro[2.2]pentan-2-yl]-1H-indazole;trans-(1S,2S)-1-N,2-N-dimethylcyclohexane-1,2-diamine?

The canonical SMILES for 2-chloro-4-iodopyridine;(2R)-2-[1-(2-chloro-4-pyridinyl)indazol-6-yl]spiro[2.2]pentane-2-carbonitrile;1-(2-chloro-4-pyridinyl)-6-[(2S)-2-isocyanospiro[2.2]pentan-2-yl]indazole;(2R)-2-[1-[2-(1-ethylpyrazol-4-yl)-4-pyridinyl]indazol-6-yl]spiro[2.2]pentane-2-carbonitrile;1-ethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;6-[(2S)-2-isocyanospiro[2.2]pentan-2-yl]-1H-indazole;trans-(1S,2S)-1-N,2-N-dimethylcyclohexane-1,2-diamine is CCn1cc(-c2cc(-n3ncc4ccc([C@@]5(C#N)CC56CC6)cc43)ccn2)cn1.CCn1cc(B2OC(C)(C)C(C)(C)O2)cn1.CN[C@H]1CCCC[C@@H]1NC.Clc1cc(I)ccn1.N#C[C@]1(c2ccc3cnn(-c4ccnc(Cl)c4)c3c2)CC12CC2.[C-]#[N+][C@@]1(c2ccc3cn[nH]c3c2)CC12CC2.[C-]#[N+][C@@]1(c2ccc3cnn(-c4ccnc(Cl)c4)c3c2)CC12CC2.

What is the InChIKey of 2-chloro-4-iodopyridine;(2R)-2-[1-(2-chloro-4-pyridinyl)indazol-6-yl]spiro[2.2]pentane-2-carbonitrile;1-(2-chloro-4-pyridinyl)-6-[(2S)-2-isocyanospiro[2.2]pentan-2-yl]indazole;(2R)-2-[1-[2-(1-ethylpyrazol-4-yl)-4-pyridinyl]indazol-6-yl]spiro[2.2]pentane-2-carbonitrile;1-ethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;6-[(2S)-2-isocyanospiro[2.2]pentan-2-yl]-1H-indazole;trans-(1S,2S)-1-N,2-N-dimethylcyclohexane-1,2-diamine?

The InChIKey is HWGSLYOWDYPMFG-TYSANRMDSA-N. The full InChI is InChI=1S/C23H20N6.2C18H13ClN4.C13H11N3.C11H19BN2O2.C8H18N2.C5H3ClIN/c1-2-28-13-17(12-26-28)20-10-19(5-8-25-20)29-21-9-18(4-3-16(21)11-27-29)23(15-24)14-22(23)6-7-22;1-20-18(11-17(18)5-6-17)13-3-2-12-10-22-23(15(12)8-13)14-4-7-21-16(19)9-14;19-16-8-14(3-6-21-16)23-15-7-13(2-1-12(15)9-22-23)18(11-20)10-17(18)4-5-17;1-14-13(8-12(13)4-5-12)10-3-2-9-7-15-16-11(9)6-10;1-6-14-8-9(7-13-14)12-15-10(2,3)11(4,5)16-12;1-9-7-5-3-4-6-8(7)10-2;6-5-3-4(7)1-2-8-5/h3-5,8-13H,2,6-7,14H2,1H3;2-4,7-10H,5-6,11H2;1-3,6-9H,4-5,10H2;2-3,6-7H,4-5,8H2,(H,15,16);7-8H,6H2,1-5H3;7-10H,3-6H2,1-2H3;1-3H/t23-;2*18-;13-;;7-,8-;/m0101.0./s1.

What are the key properties of 2-chloro-4-iodopyridine;(2R)-2-[1-(2-chloro-4-pyridinyl)indazol-6-yl]spiro[2.2]pentane-2-carbonitrile;1-(2-chloro-4-pyridinyl)-6-[(2S)-2-isocyanospiro[2.2]pentan-2-yl]indazole;(2R)-2-[1-[2-(1-ethylpyrazol-4-yl)-4-pyridinyl]indazol-6-yl]spiro[2.2]pentane-2-carbonitrile;1-ethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;6-[(2S)-2-isocyanospiro[2.2]pentan-2-yl]-1H-indazole;trans-(1S,2S)-1-N,2-N-dimethylcyclohexane-1,2-diamine?

2-chloro-4-iodopyridine;(2R)-2-[1-(2-chloro-4-pyridinyl)indazol-6-yl]spiro[2.2]pentane-2-carbonitrile;1-(2-chloro-4-pyridinyl)-6-[(2S)-2-isocyanospiro[2.2]pentan-2-yl]indazole;(2R)-2-[1-[2-(1-ethylpyrazol-4-yl)-4-pyridinyl]indazol-6-yl]spiro[2.2]pentane-2-carbonitrile;1-ethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;6-[(2S)-2-isocyanospiro[2.2]pentan-2-yl]-1H-indazole;trans-(1S,2S)-1-N,2-N-dimethylcyclohexane-1,2-diamine has a molecular weight of 1835.06 g/mol, XLogP of 19.78, 13 rotatable bonds, 3 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-4-iodopyridine;(2R)-2-[1-(2-chloro-4-pyridinyl)indazol-6-yl]spiro[2.2]pentane-2-carbonitrile;1-(2-chloro-4-pyridinyl)-6-[(2S)-2-isocyanospiro[2.2]pentan-2-yl]indazole;(2R)-2-[1-[2-(1-ethylpyrazol-4-yl)-4-pyridinyl]indazol-6-yl]spiro[2.2]pentane-2-carbonitrile;1-ethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;6-[(2S)-2-isocyanospiro[2.2]pentan-2-yl]-1H-indazole;trans-(1S,2S)-1-N,2-N-dimethylcyclohexane-1,2-diamine is sourced from PubChem (CID 158606301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).