5-bromo-2-chloropyridine;6-chloro-N,N-bis(4-pentylphenyl)pyridin-3-amine;3,5-dimethyl-1-(oxan-3-yl)pyrazole;1-iodo-4-pentylbenzene;6-[1-(oxan-3-yl)-3-(trifluoromethyl)pyrazol-5-yl]-N,N-bis(4-pentylphenyl)pyridin-3-amine;4-pentylaniline;4-pentyl-N-(4-pentylphenyl)aniline;hydrochloride

C122H159BrCl3F3IN11O2 — CID 162060147

IUPAC5-bromo-2-chloropyridine;6-chloro-N,N-bis(4-pentylphenyl)pyridin-3-amine;3,5-dimethyl-1-(oxan-3-yl)pyrazole;1-iodo-4-pentylbenzene;6-[1-(oxan-3-yl)-3-(trifluoromethyl)pyrazol-5-yl]-N,N-bis(4-pentylphenyl)pyridin-3-amine;4-pentylaniline;4-pentyl-N-(4-pentylphenyl)aniline;hydrochloride
SMILESCCCCCc1ccc(I)cc1.CCCCCc1ccc(N(c2ccc(CCCCC)cc2)c2ccc(-c3cc(C(F)(F)F)nn3C3CCCOC3)nc2)cc1.CCCCCc1ccc(N(c2ccc(CCCCC)cc2)c2ccc(Cl)nc2)cc1.CCCCCc1ccc(N)cc1.CCCCCc1ccc(Nc2ccc(CCCCC)cc2)cc1.Cc1cc(C)n(C2CCCOC2)n1.Cl.Clc1ccc(Br)cn1
InChIInChI=1S/C36H43F3N4O.C27H33ClN2.C22H31N.C11H15I.C11H17N.C10H16N2O.C5H3BrClN.ClH/c1-3-5-7-10-27-13-17-29(18-14-27)42(30-19-15-28(16-20-30)11-8-6-4-2)31-21-22-33(40-25-31)34-24-35(36(37,38)39)41-43(34)32-12-9-23-44-26-32;1-3-5-7-9-22-11-15-24(16-12-22)30(26-19-20-27(28)29-21-26)25-17-13-23(14-18-25)10-8-6-4-2;1-3-5-7-9-19-11-15-21(16-12-19)23-22-17-13-20(14-18-22)10-8-6-4-2;2*1-2-3-4-5-10-6-8-11(12)9-7-10;1-8-6-9(2)12(11-8)10-4-3-5-13-7-10;6-4-1-2-5(7)8-3-4;/h13-22,24-25,32H,3-12,23,26H2,1-2H3;11-21H,3-10H2,1-2H3;11-18,23H,3-10H2,1-2H3;6-9H,2-5H2,1H3;6-9H,2-5,12H2,1H3;6,10H,3-5,7H2,1-2H3;1-3H;1H
InChIKeyQJTPKFJUKYXFFB-UHFFFAOYSA-N
MW2181.85 g/mol
LogP37.61
Rot. Bonds43

About 5-bromo-2-chloropyridine;6-chloro-N,N-bis(4-pentylphenyl)pyridin-3-amine;3,5-dimethyl-1-(oxan-3-yl)pyrazole;1-iodo-4-pentylbenzene;6-[1-(oxan-3-yl)-3-(trifluoromethyl)pyrazol-5-yl]-N,N-bis(4-pentylphenyl)pyridin-3-amine;4-pentylaniline;4-pentyl-N-(4-pentylphenyl)aniline;hydrochloride

5-bromo-2-chloropyridine;6-chloro-N,N-bis(4-pentylphenyl)pyridin-3-amine;3,5-dimethyl-1-(oxan-3-yl)pyrazole;1-iodo-4-pentylbenzene;6-[1-(oxan-3-yl)-3-(trifluoromethyl)pyrazol-5-yl]-N,N-bis(4-pentylphenyl)pyridin-3-amine;4-pentylaniline;4-pentyl-N-(4-pentylphenyl)aniline;hydrochloride (PubChem CID 162060147) has the molecular formula C122H159BrCl3F3IN11O2 and a molecular weight of 2181.85 g/mol. Its IUPAC name is 5-bromo-2-chloropyridine;6-chloro-N,N-bis(4-pentylphenyl)pyridin-3-amine;3,5-dimethyl-1-(oxan-3-yl)pyrazole;1-iodo-4-pentylbenzene;6-[1-(oxan-3-yl)-3-(trifluoromethyl)pyrazol-5-yl]-N,N-bis(4-pentylphenyl)pyridin-3-amine;4-pentylaniline;4-pentyl-N-(4-pentylphenyl)aniline;hydrochloride.

Molecular Properties

Compound Name5-bromo-2-chloropyridine;6-chloro-N,N-bis(4-pentylphenyl)pyridin-3-amine;3,5-dimethyl-1-(oxan-3-yl)pyrazole;1-iodo-4-pentylbenzene;6-[1-(oxan-3-yl)-3-(trifluoromethyl)pyrazol-5-yl]-N,N-bis(4-pentylphenyl)pyridin-3-amine;4-pentylaniline;4-pentyl-N-(4-pentylphenyl)aniline;hydrochloride
PubChem CID162060147
Molecular FormulaC122H159BrCl3F3IN11O2
Molecular Weight2181.85 g/mol
Exact Mass2177.99
IUPAC Name5-bromo-2-chloropyridine;6-chloro-N,N-bis(4-pentylphenyl)pyridin-3-amine;3,5-dimethyl-1-(oxan-3-yl)pyrazole;1-iodo-4-pentylbenzene;6-[1-(oxan-3-yl)-3-(trifluoromethyl)pyrazol-5-yl]-N,N-bis(4-pentylphenyl)pyridin-3-amine;4-pentylaniline;4-pentyl-N-(4-pentylphenyl)aniline;hydrochloride
SMILESCCCCCc1ccc(I)cc1.CCCCCc1ccc(N(c2ccc(CCCCC)cc2)c2ccc(-c3cc(C(F)(F)F)nn3C3CCCOC3)nc2)cc1.CCCCCc1ccc(N(c2ccc(CCCCC)cc2)c2ccc(Cl)nc2)cc1.CCCCCc1ccc(N)cc1.CCCCCc1ccc(Nc2ccc(CCCCC)cc2)cc1.Cc1cc(C)n(C2CCCOC2)n1.Cl.Clc1ccc(Br)cn1
InChIInChI=1S/C36H43F3N4O.C27H33ClN2.C22H31N.C11H15I.C11H17N.C10H16N2O.C5H3BrClN.ClH/c1-3-5-7-10-27-13-17-29(18-14-27)42(30-19-15-28(16-20-30)11-8-6-4-2)31-21-22-33(40-25-31)34-24-35(36(37,38)39)41-43(34)32-12-9-23-44-26-32;1-3-5-7-9-22-11-15-24(16-12-22)30(26-19-20-27(28)29-21-26)25-17-13-23(14-18-25)10-8-6-4-2;1-3-5-7-9-19-11-15-21(16-12-19)23-22-17-13-20(14-18-22)10-8-6-4-2;2*1-2-3-4-5-10-6-8-11(12)9-7-10;1-8-6-9(2)12(11-8)10-4-3-5-13-7-10;6-4-1-2-5(7)8-3-4;/h13-22,24-25,32H,3-12,23,26H2,1-2H3;11-21H,3-10H2,1-2H3;11-18,23H,3-10H2,1-2H3;6-9H,2-5H2,1H3;6-9H,2-5,12H2,1H3;6,10H,3-5,7H2,1-2H3;1-3H;1H
InChIKeyQJTPKFJUKYXFFB-UHFFFAOYSA-N
XLogP37.61
TPSA137.30 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds43
Heavy Atoms143
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002181.85
LogP ≤ 537.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 5-bromo-2-chloropyridine;6-chloro-N,N-bis(4-pentylphenyl)pyridin-3-amine;3,5-dimethyl-1-(oxan-3-yl)pyrazole;1-iodo-4-pentylbenzene;6-[1-(oxan-3-yl)-3-(trifluoromethyl)pyrazol-5-yl]-N,N-bis(4-pentylphenyl)pyridin-3-amine;4-pentylaniline;4-pentyl-N-(4-pentylphenyl)aniline;hydrochloride with MolForge

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Related Compounds

6-[C-(2-amino-3,3,3-trifluoroprop-1-enyl)-N-(oxan-3-yl)carbonimidoyl]-N,N-bis(4-pentylphenyl)pyridin-3-amine;5-bromo-2-chloropyridine;6-chloro-N,N-bis(4-pentylphenyl)pyridin-3-amine;3,5-dimethyl-1-(oxan-3-yl)pyrazole;1-iodo-4-pentylbenzene;4-pentylaniline;4-pentyl-N-(4-pentylphenyl)aniline;hydrochloride
CID 158486189
3-bromo-6-[3-(5-chloro-2-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]quinoline;6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]quinolin-3-amine;2-(4-propan-2-ylpiperazin-1-yl)ethanamine
CID 157347113

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloropyridine;6-chloro-N,N-bis(4-pentylphenyl)pyridin-3-amine;3,5-dimethyl-1-(oxan-3-yl)pyrazole;1-iodo-4-pentylbenzene;6-[1-(oxan-3-yl)-3-(trifluoromethyl)pyrazol-5-yl]-N,N-bis(4-pentylphenyl)pyridin-3-amine;4-pentylaniline;4-pentyl-N-(4-pentylphenyl)aniline;hydrochloride?
The IUPAC name of 5-bromo-2-chloropyridine;6-chloro-N,N-bis(4-pentylphenyl)pyridin-3-amine;3,5-dimethyl-1-(oxan-3-yl)pyrazole;1-iodo-4-pentylbenzene;6-[1-(oxan-3-yl)-3-(trifluoromethyl)pyrazol-5-yl]-N,N-bis(4-pentylphenyl)pyridin-3-amine;4-pentylaniline;4-pentyl-N-(4-pentylphenyl)aniline;hydrochloride (CID 162060147) is 5-bromo-2-chloropyridine;6-chloro-N,N-bis(4-pentylphenyl)pyridin-3-amine;3,5-dimethyl-1-(oxan-3-yl)pyrazole;1-iodo-4-pentylbenzene;6-[1-(oxan-3-yl)-3-(trifluoromethyl)pyrazol-5-yl]-N,N-bis(4-pentylphenyl)pyridin-3-amine;4-pentylaniline;4-pentyl-N-(4-pentylphenyl)aniline;hydrochloride.
What is the SMILES notation for 5-bromo-2-chloropyridine;6-chloro-N,N-bis(4-pentylphenyl)pyridin-3-amine;3,5-dimethyl-1-(oxan-3-yl)pyrazole;1-iodo-4-pentylbenzene;6-[1-(oxan-3-yl)-3-(trifluoromethyl)pyrazol-5-yl]-N,N-bis(4-pentylphenyl)pyridin-3-amine;4-pentylaniline;4-pentyl-N-(4-pentylphenyl)aniline;hydrochloride?
The canonical SMILES for 5-bromo-2-chloropyridine;6-chloro-N,N-bis(4-pentylphenyl)pyridin-3-amine;3,5-dimethyl-1-(oxan-3-yl)pyrazole;1-iodo-4-pentylbenzene;6-[1-(oxan-3-yl)-3-(trifluoromethyl)pyrazol-5-yl]-N,N-bis(4-pentylphenyl)pyridin-3-amine;4-pentylaniline;4-pentyl-N-(4-pentylphenyl)aniline;hydrochloride is CCCCCc1ccc(I)cc1.CCCCCc1ccc(N(c2ccc(CCCCC)cc2)c2ccc(-c3cc(C(F)(F)F)nn3C3CCCOC3)nc2)cc1.CCCCCc1ccc(N(c2ccc(CCCCC)cc2)c2ccc(Cl)nc2)cc1.CCCCCc1ccc(N)cc1.CCCCCc1ccc(Nc2ccc(CCCCC)cc2)cc1.Cc1cc(C)n(C2CCCOC2)n1.Cl.Clc1ccc(Br)cn1.
What is the InChIKey of 5-bromo-2-chloropyridine;6-chloro-N,N-bis(4-pentylphenyl)pyridin-3-amine;3,5-dimethyl-1-(oxan-3-yl)pyrazole;1-iodo-4-pentylbenzene;6-[1-(oxan-3-yl)-3-(trifluoromethyl)pyrazol-5-yl]-N,N-bis(4-pentylphenyl)pyridin-3-amine;4-pentylaniline;4-pentyl-N-(4-pentylphenyl)aniline;hydrochloride?
The InChIKey is QJTPKFJUKYXFFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H43F3N4O.C27H33ClN2.C22H31N.C11H15I.C11H17N.C10H16N2O.C5H3BrClN.ClH/c1-3-5-7-10-27-13-17-29(18-14-27)42(30-19-15-28(16-20-30)11-8-6-4-2)31-21-22-33(40-25-31)34-24-35(36(37,38)39)41-43(34)32-12-9-23-44-26-32;1-3-5-7-9-22-11-15-24(16-12-22)30(26-19-20-27(28)29-21-26)25-17-13-23(14-18-25)10-8-6-4-2;1-3-5-7-9-19-11-15-21(16-12-19)23-22-17-13-20(14-18-22)10-8-6-4-2;2*1-2-3-4-5-10-6-8-11(12)9-7-10;1-8-6-9(2)12(11-8)10-4-3-5-13-7-10;6-4-1-2-5(7)8-3-4;/h13-22,24-25,32H,3-12,23,26H2,1-2H3;11-21H,3-10H2,1-2H3;11-18,23H,3-10H2,1-2H3;6-9H,2-5H2,1H3;6-9H,2-5,12H2,1H3;6,10H,3-5,7H2,1-2H3;1-3H;1H.
What are the key properties of 5-bromo-2-chloropyridine;6-chloro-N,N-bis(4-pentylphenyl)pyridin-3-amine;3,5-dimethyl-1-(oxan-3-yl)pyrazole;1-iodo-4-pentylbenzene;6-[1-(oxan-3-yl)-3-(trifluoromethyl)pyrazol-5-yl]-N,N-bis(4-pentylphenyl)pyridin-3-amine;4-pentylaniline;4-pentyl-N-(4-pentylphenyl)aniline;hydrochloride?
5-bromo-2-chloropyridine;6-chloro-N,N-bis(4-pentylphenyl)pyridin-3-amine;3,5-dimethyl-1-(oxan-3-yl)pyrazole;1-iodo-4-pentylbenzene;6-[1-(oxan-3-yl)-3-(trifluoromethyl)pyrazol-5-yl]-N,N-bis(4-pentylphenyl)pyridin-3-amine;4-pentylaniline;4-pentyl-N-(4-pentylphenyl)aniline;hydrochloride has a molecular weight of 2181.85 g/mol, XLogP of 37.61, 43 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloropyridine;6-chloro-N,N-bis(4-pentylphenyl)pyridin-3-amine;3,5-dimethyl-1-(oxan-3-yl)pyrazole;1-iodo-4-pentylbenzene;6-[1-(oxan-3-yl)-3-(trifluoromethyl)pyrazol-5-yl]-N,N-bis(4-pentylphenyl)pyridin-3-amine;4-pentylaniline;4-pentyl-N-(4-pentylphenyl)aniline;hydrochloride is sourced from PubChem (CID 162060147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).