2-bromopyridine;tert-butyl 2-[[4-fluoro-1-[6-(4-fluoro-N-pyridin-2-ylanilino)pyrazin-2-yl]piperidin-4-yl]methoxy]acetate;2-[[4-fluoro-1-[6-(4-fluoro-N-pyridin-2-ylanilino)pyrazin-2-yl]piperidin-4-yl]methoxy]acetic acid;N-(4-fluorophenyl)pyridin-2-amine;molecular iodine

C66H67BrF5I2N13O6 — CID 159793515

IUPAC2-bromopyridine;tert-butyl 2-[[4-fluoro-1-[6-(4-fluoro-N-pyridin-2-ylanilino)pyrazin-2-yl]piperidin-4-yl]methoxy]acetate;2-[[4-fluoro-1-[6-(4-fluoro-N-pyridin-2-ylanilino)pyrazin-2-yl]piperidin-4-yl]methoxy]acetic acid;N-(4-fluorophenyl)pyridin-2-amine;molecular iodine
SMILESBrc1ccccn1.CC(C)(C)OC(=O)COCC1(F)CCN(c2cncc(N(c3ccc(F)cc3)c3ccccn3)n2)CC1.Fc1ccc(Nc2ccccn2)cc1.II.O=C(O)COCC1(F)CCN(c2cncc(N(c3ccc(F)cc3)c3ccccn3)n2)CC1
InChIInChI=1S/C27H31F2N5O3.C23H23F2N5O3.C11H9FN2.C5H4BrN.I2/c1-26(2,3)37-25(35)18-36-19-27(29)11-14-33(15-12-27)23-16-30-17-24(32-23)34(22-6-4-5-13-31-22)21-9-7-20(28)8-10-21;24-17-4-6-18(7-5-17)30(19-3-1-2-10-27-19)21-14-26-13-20(28-21)29-11-8-23(25,9-12-29)16-33-15-22(31)32;12-9-4-6-10(7-5-9)14-11-3-1-2-8-13-11;6-5-3-1-2-4-7-5;1-2/h4-10,13,16-17H,11-12,14-15,18-19H2,1-3H3;1-7,10,13-14H,8-9,11-12,15-16H2,(H,31,32);1-8H,(H,13,14);1-4H;
InChIKeyNIWHVPFADXKRKY-UHFFFAOYSA-N
MW1567.05 g/mol
LogP15.62
Rot. Bonds18

About 2-bromopyridine;tert-butyl 2-[[4-fluoro-1-[6-(4-fluoro-N-pyridin-2-ylanilino)pyrazin-2-yl]piperidin-4-yl]methoxy]acetate;2-[[4-fluoro-1-[6-(4-fluoro-N-pyridin-2-ylanilino)pyrazin-2-yl]piperidin-4-yl]methoxy]acetic acid;N-(4-fluorophenyl)pyridin-2-amine;molecular iodine

2-bromopyridine;tert-butyl 2-[[4-fluoro-1-[6-(4-fluoro-N-pyridin-2-ylanilino)pyrazin-2-yl]piperidin-4-yl]methoxy]acetate;2-[[4-fluoro-1-[6-(4-fluoro-N-pyridin-2-ylanilino)pyrazin-2-yl]piperidin-4-yl]methoxy]acetic acid;N-(4-fluorophenyl)pyridin-2-amine;molecular iodine (PubChem CID 159793515) has the molecular formula C66H67BrF5I2N13O6 and a molecular weight of 1567.05 g/mol. Its IUPAC name is 2-bromopyridine;tert-butyl 2-[[4-fluoro-1-[6-(4-fluoro-N-pyridin-2-ylanilino)pyrazin-2-yl]piperidin-4-yl]methoxy]acetate;2-[[4-fluoro-1-[6-(4-fluoro-N-pyridin-2-ylanilino)pyrazin-2-yl]piperidin-4-yl]methoxy]acetic acid;N-(4-fluorophenyl)pyridin-2-amine;molecular iodine.

Molecular Properties

Compound Name2-bromopyridine;tert-butyl 2-[[4-fluoro-1-[6-(4-fluoro-N-pyridin-2-ylanilino)pyrazin-2-yl]piperidin-4-yl]methoxy]acetate;2-[[4-fluoro-1-[6-(4-fluoro-N-pyridin-2-ylanilino)pyrazin-2-yl]piperidin-4-yl]methoxy]acetic acid;N-(4-fluorophenyl)pyridin-2-amine;molecular iodine
PubChem CID159793515
Molecular FormulaC66H67BrF5I2N13O6
Molecular Weight1567.05 g/mol
Exact Mass1565.25
IUPAC Name2-bromopyridine;tert-butyl 2-[[4-fluoro-1-[6-(4-fluoro-N-pyridin-2-ylanilino)pyrazin-2-yl]piperidin-4-yl]methoxy]acetate;2-[[4-fluoro-1-[6-(4-fluoro-N-pyridin-2-ylanilino)pyrazin-2-yl]piperidin-4-yl]methoxy]acetic acid;N-(4-fluorophenyl)pyridin-2-amine;molecular iodine
SMILESBrc1ccccn1.CC(C)(C)OC(=O)COCC1(F)CCN(c2cncc(N(c3ccc(F)cc3)c3ccccn3)n2)CC1.Fc1ccc(Nc2ccccn2)cc1.II.O=C(O)COCC1(F)CCN(c2cncc(N(c3ccc(F)cc3)c3ccccn3)n2)CC1
InChIInChI=1S/C27H31F2N5O3.C23H23F2N5O3.C11H9FN2.C5H4BrN.I2/c1-26(2,3)37-25(35)18-36-19-27(29)11-14-33(15-12-27)23-16-30-17-24(32-23)34(22-6-4-5-13-31-22)21-9-7-20(28)8-10-21;24-17-4-6-18(7-5-17)30(19-3-1-2-10-27-19)21-14-26-13-20(28-21)29-11-8-23(25,9-12-29)16-33-15-22(31)32;12-9-4-6-10(7-5-9)14-11-3-1-2-8-13-11;6-5-3-1-2-4-7-5;1-2/h4-10,13,16-17H,11-12,14-15,18-19H2,1-3H3;1-7,10,13-14H,8-9,11-12,15-16H2,(H,31,32);1-8H,(H,13,14);1-4H;
InChIKeyNIWHVPFADXKRKY-UHFFFAOYSA-N
XLogP15.62
TPSA210.17 Ų
H-Bond Donors2
H-Bond Acceptors18
Rotatable Bonds18
Heavy Atoms93
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001567.05
LogP ≤ 515.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze 2-bromopyridine;tert-butyl 2-[[4-fluoro-1-[6-(4-fluoro-N-pyridin-2-ylanilino)pyrazin-2-yl]piperidin-4-yl]methoxy]acetate;2-[[4-fluoro-1-[6-(4-fluoro-N-pyridin-2-ylanilino)pyrazin-2-yl]piperidin-4-yl]methoxy]acetic acid;N-(4-fluorophenyl)pyridin-2-amine;molecular iodine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-bromopyridine;tert-butyl 2-[[4-fluoro-1-[6-(4-fluoro-N-pyridin-2-ylanilino)pyrazin-2-yl]piperidin-4-yl]methoxy]acetate;2-[[4-fluoro-1-[6-(4-fluoro-N-pyridin-2-ylanilino)pyrazin-2-yl]piperidin-4-yl]methoxy]acetic acid;N-(4-fluorophenyl)pyridin-2-amine;molecular iodine?
The IUPAC name of 2-bromopyridine;tert-butyl 2-[[4-fluoro-1-[6-(4-fluoro-N-pyridin-2-ylanilino)pyrazin-2-yl]piperidin-4-yl]methoxy]acetate;2-[[4-fluoro-1-[6-(4-fluoro-N-pyridin-2-ylanilino)pyrazin-2-yl]piperidin-4-yl]methoxy]acetic acid;N-(4-fluorophenyl)pyridin-2-amine;molecular iodine (CID 159793515) is 2-bromopyridine;tert-butyl 2-[[4-fluoro-1-[6-(4-fluoro-N-pyridin-2-ylanilino)pyrazin-2-yl]piperidin-4-yl]methoxy]acetate;2-[[4-fluoro-1-[6-(4-fluoro-N-pyridin-2-ylanilino)pyrazin-2-yl]piperidin-4-yl]methoxy]acetic acid;N-(4-fluorophenyl)pyridin-2-amine;molecular iodine.
What is the SMILES notation for 2-bromopyridine;tert-butyl 2-[[4-fluoro-1-[6-(4-fluoro-N-pyridin-2-ylanilino)pyrazin-2-yl]piperidin-4-yl]methoxy]acetate;2-[[4-fluoro-1-[6-(4-fluoro-N-pyridin-2-ylanilino)pyrazin-2-yl]piperidin-4-yl]methoxy]acetic acid;N-(4-fluorophenyl)pyridin-2-amine;molecular iodine?
The canonical SMILES for 2-bromopyridine;tert-butyl 2-[[4-fluoro-1-[6-(4-fluoro-N-pyridin-2-ylanilino)pyrazin-2-yl]piperidin-4-yl]methoxy]acetate;2-[[4-fluoro-1-[6-(4-fluoro-N-pyridin-2-ylanilino)pyrazin-2-yl]piperidin-4-yl]methoxy]acetic acid;N-(4-fluorophenyl)pyridin-2-amine;molecular iodine is Brc1ccccn1.CC(C)(C)OC(=O)COCC1(F)CCN(c2cncc(N(c3ccc(F)cc3)c3ccccn3)n2)CC1.Fc1ccc(Nc2ccccn2)cc1.II.O=C(O)COCC1(F)CCN(c2cncc(N(c3ccc(F)cc3)c3ccccn3)n2)CC1.
What is the InChIKey of 2-bromopyridine;tert-butyl 2-[[4-fluoro-1-[6-(4-fluoro-N-pyridin-2-ylanilino)pyrazin-2-yl]piperidin-4-yl]methoxy]acetate;2-[[4-fluoro-1-[6-(4-fluoro-N-pyridin-2-ylanilino)pyrazin-2-yl]piperidin-4-yl]methoxy]acetic acid;N-(4-fluorophenyl)pyridin-2-amine;molecular iodine?
The InChIKey is NIWHVPFADXKRKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31F2N5O3.C23H23F2N5O3.C11H9FN2.C5H4BrN.I2/c1-26(2,3)37-25(35)18-36-19-27(29)11-14-33(15-12-27)23-16-30-17-24(32-23)34(22-6-4-5-13-31-22)21-9-7-20(28)8-10-21;24-17-4-6-18(7-5-17)30(19-3-1-2-10-27-19)21-14-26-13-20(28-21)29-11-8-23(25,9-12-29)16-33-15-22(31)32;12-9-4-6-10(7-5-9)14-11-3-1-2-8-13-11;6-5-3-1-2-4-7-5;1-2/h4-10,13,16-17H,11-12,14-15,18-19H2,1-3H3;1-7,10,13-14H,8-9,11-12,15-16H2,(H,31,32);1-8H,(H,13,14);1-4H;.
What are the key properties of 2-bromopyridine;tert-butyl 2-[[4-fluoro-1-[6-(4-fluoro-N-pyridin-2-ylanilino)pyrazin-2-yl]piperidin-4-yl]methoxy]acetate;2-[[4-fluoro-1-[6-(4-fluoro-N-pyridin-2-ylanilino)pyrazin-2-yl]piperidin-4-yl]methoxy]acetic acid;N-(4-fluorophenyl)pyridin-2-amine;molecular iodine?
2-bromopyridine;tert-butyl 2-[[4-fluoro-1-[6-(4-fluoro-N-pyridin-2-ylanilino)pyrazin-2-yl]piperidin-4-yl]methoxy]acetate;2-[[4-fluoro-1-[6-(4-fluoro-N-pyridin-2-ylanilino)pyrazin-2-yl]piperidin-4-yl]methoxy]acetic acid;N-(4-fluorophenyl)pyridin-2-amine;molecular iodine has a molecular weight of 1567.05 g/mol, XLogP of 15.62, 18 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromopyridine;tert-butyl 2-[[4-fluoro-1-[6-(4-fluoro-N-pyridin-2-ylanilino)pyrazin-2-yl]piperidin-4-yl]methoxy]acetate;2-[[4-fluoro-1-[6-(4-fluoro-N-pyridin-2-ylanilino)pyrazin-2-yl]piperidin-4-yl]methoxy]acetic acid;N-(4-fluorophenyl)pyridin-2-amine;molecular iodine is sourced from PubChem (CID 159793515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).