5-bromo-2-tert-butylpyridine;2-tert-butyl-5-fluoropyridine;5-[(3,4-difluorophenyl)methyl]-2-propan-2-ylpyridine;N,N-dimethyl-6-propan-2-ylpyridin-3-amine;5-(2,5-dimethylpyrrol-1-yl)-2-propan-2-ylpyridine;5-ethyl-2-propan-2-ylpyridine;5-isocyano-2-propan-2-ylpyridine;5-methoxy-2-propan-2-ylpyridine;bis(5-methyl-2-propan-2-ylpyridine);methyl 2-[4-(6-propan-2-yl-3-pyridinyl)piperazin-1-yl]acetate;6-propan-2-ylpyridin-3-amine;2-propan-2-ylpyridine;1-(6-propan-2-yl-3-pyridinyl)ethanone;4-(6-propan-2-yl-3-pyridinyl)morpholine

C156H214BrF3N22O5 — CID 158617121

IUPAC5-bromo-2-tert-butylpyridine;2-tert-butyl-5-fluoropyridine;5-[(3,4-difluorophenyl)methyl]-2-propan-2-ylpyridine;N,N-dimethyl-6-propan-2-ylpyridin-3-amine;5-(2,5-dimethylpyrrol-1-yl)-2-propan-2-ylpyridine;5-ethyl-2-propan-2-ylpyridine;5-isocyano-2-propan-2-ylpyridine;5-methoxy-2-propan-2-ylpyridine;bis(5-methyl-2-propan-2-ylpyridine);methyl 2-[4-(6-propan-2-yl-3-pyridinyl)piperazin-1-yl]acetate;6-propan-2-ylpyridin-3-amine;2-propan-2-ylpyridine;1-(6-propan-2-yl-3-pyridinyl)ethanone;4-(6-propan-2-yl-3-pyridinyl)morpholine
SMILESCC(=O)c1ccc(C(C)C)nc1.CC(C)(C)c1ccc(Br)cn1.CC(C)(C)c1ccc(F)cn1.CC(C)c1ccc(Cc2ccc(F)c(F)c2)cn1.CC(C)c1ccc(N(C)C)cn1.CC(C)c1ccc(N)cn1.CC(C)c1ccc(N2CCOCC2)cn1.CC(C)c1ccccn1.CCc1ccc(C(C)C)nc1.COC(=O)CN1CCN(c2ccc(C(C)C)nc2)CC1.COc1ccc(C(C)C)nc1.Cc1ccc(C(C)C)nc1.Cc1ccc(C(C)C)nc1.Cc1ccc(C)n1-c1ccc(C(C)C)nc1.[C-]#[N+]c1ccc(C(C)C)nc1
InChIInChI=1S/C15H15F2N.C15H23N3O2.C14H18N2.C12H18N2O.C10H16N2.C10H13NO.C10H15N.C9H12BrN.C9H12FN.C9H10N2.C9H13NO.2C9H13N.C8H12N2.C8H11N/c1-10(2)15-6-4-12(9-18-15)7-11-3-5-13(16)14(17)8-11;1-12(2)14-5-4-13(10-16-14)18-8-6-17(7-9-18)11-15(19)20-3;1-10(2)14-8-7-13(9-15-14)16-11(3)5-6-12(16)4;1-10(2)12-4-3-11(9-13-12)14-5-7-15-8-6-14;1-8(2)10-6-5-9(7-11-10)12(3)4;1-7(2)10-5-4-9(6-11-10)8(3)12;1-4-9-5-6-10(8(2)3)11-7-9;2*1-9(2,3)8-5-4-7(10)6-11-8;1-7(2)9-5-4-8(10-3)6-11-9;1-7(2)9-5-4-8(11-3)6-10-9;2*1-7(2)9-5-4-8(3)6-10-9;1-6(2)8-4-3-7(9)5-10-8;1-7(2)8-5-3-4-6-9-8/h3-6,8-10H,7H2,1-2H3;4-5,10,12H,6-9,11H2,1-3H3;5-10H,1-4H3;3-4,9-10H,5-8H2,1-2H3;5-8H,1-4H3;4-7H,1-3H3;5-8H,4H2,1-3H3;2*4-6H,1-3H3;4-7H,1-2H3;4-7H,1-3H3;2*4-7H,1-3H3;3-6H,9H2,1-2H3;3-7H,1-2H3
InChIKeyHXNJPVSPZOAJJX-UHFFFAOYSA-N
MW2614.47 g/mol
LogP38.32
Rot. Bonds24

About 5-bromo-2-tert-butylpyridine;2-tert-butyl-5-fluoropyridine;5-[(3,4-difluorophenyl)methyl]-2-propan-2-ylpyridine;N,N-dimethyl-6-propan-2-ylpyridin-3-amine;5-(2,5-dimethylpyrrol-1-yl)-2-propan-2-ylpyridine;5-ethyl-2-propan-2-ylpyridine;5-isocyano-2-propan-2-ylpyridine;5-methoxy-2-propan-2-ylpyridine;bis(5-methyl-2-propan-2-ylpyridine);methyl 2-[4-(6-propan-2-yl-3-pyridinyl)piperazin-1-yl]acetate;6-propan-2-ylpyridin-3-amine;2-propan-2-ylpyridine;1-(6-propan-2-yl-3-pyridinyl)ethanone;4-(6-propan-2-yl-3-pyridinyl)morpholine

5-bromo-2-tert-butylpyridine;2-tert-butyl-5-fluoropyridine;5-[(3,4-difluorophenyl)methyl]-2-propan-2-ylpyridine;N,N-dimethyl-6-propan-2-ylpyridin-3-amine;5-(2,5-dimethylpyrrol-1-yl)-2-propan-2-ylpyridine;5-ethyl-2-propan-2-ylpyridine;5-isocyano-2-propan-2-ylpyridine;5-methoxy-2-propan-2-ylpyridine;bis(5-methyl-2-propan-2-ylpyridine);methyl 2-[4-(6-propan-2-yl-3-pyridinyl)piperazin-1-yl]acetate;6-propan-2-ylpyridin-3-amine;2-propan-2-ylpyridine;1-(6-propan-2-yl-3-pyridinyl)ethanone;4-(6-propan-2-yl-3-pyridinyl)morpholine (PubChem CID 158617121) has the molecular formula C156H214BrF3N22O5 and a molecular weight of 2614.47 g/mol. Its IUPAC name is 5-bromo-2-tert-butylpyridine;2-tert-butyl-5-fluoropyridine;5-[(3,4-difluorophenyl)methyl]-2-propan-2-ylpyridine;N,N-dimethyl-6-propan-2-ylpyridin-3-amine;5-(2,5-dimethylpyrrol-1-yl)-2-propan-2-ylpyridine;5-ethyl-2-propan-2-ylpyridine;5-isocyano-2-propan-2-ylpyridine;5-methoxy-2-propan-2-ylpyridine;bis(5-methyl-2-propan-2-ylpyridine);methyl 2-[4-(6-propan-2-yl-3-pyridinyl)piperazin-1-yl]acetate;6-propan-2-ylpyridin-3-amine;2-propan-2-ylpyridine;1-(6-propan-2-yl-3-pyridinyl)ethanone;4-(6-propan-2-yl-3-pyridinyl)morpholine.

Molecular Properties

Compound Name5-bromo-2-tert-butylpyridine;2-tert-butyl-5-fluoropyridine;5-[(3,4-difluorophenyl)methyl]-2-propan-2-ylpyridine;N,N-dimethyl-6-propan-2-ylpyridin-3-amine;5-(2,5-dimethylpyrrol-1-yl)-2-propan-2-ylpyridine;5-ethyl-2-propan-2-ylpyridine;5-isocyano-2-propan-2-ylpyridine;5-methoxy-2-propan-2-ylpyridine;bis(5-methyl-2-propan-2-ylpyridine);methyl 2-[4-(6-propan-2-yl-3-pyridinyl)piperazin-1-yl]acetate;6-propan-2-ylpyridin-3-amine;2-propan-2-ylpyridine;1-(6-propan-2-yl-3-pyridinyl)ethanone;4-(6-propan-2-yl-3-pyridinyl)morpholine
PubChem CID158617121
Molecular FormulaC156H214BrF3N22O5
Molecular Weight2614.47 g/mol
Exact Mass2611.63
IUPAC Name5-bromo-2-tert-butylpyridine;2-tert-butyl-5-fluoropyridine;5-[(3,4-difluorophenyl)methyl]-2-propan-2-ylpyridine;N,N-dimethyl-6-propan-2-ylpyridin-3-amine;5-(2,5-dimethylpyrrol-1-yl)-2-propan-2-ylpyridine;5-ethyl-2-propan-2-ylpyridine;5-isocyano-2-propan-2-ylpyridine;5-methoxy-2-propan-2-ylpyridine;bis(5-methyl-2-propan-2-ylpyridine);methyl 2-[4-(6-propan-2-yl-3-pyridinyl)piperazin-1-yl]acetate;6-propan-2-ylpyridin-3-amine;2-propan-2-ylpyridine;1-(6-propan-2-yl-3-pyridinyl)ethanone;4-(6-propan-2-yl-3-pyridinyl)morpholine
SMILESCC(=O)c1ccc(C(C)C)nc1.CC(C)(C)c1ccc(Br)cn1.CC(C)(C)c1ccc(F)cn1.CC(C)c1ccc(Cc2ccc(F)c(F)c2)cn1.CC(C)c1ccc(N(C)C)cn1.CC(C)c1ccc(N)cn1.CC(C)c1ccc(N2CCOCC2)cn1.CC(C)c1ccccn1.CCc1ccc(C(C)C)nc1.COC(=O)CN1CCN(c2ccc(C(C)C)nc2)CC1.COc1ccc(C(C)C)nc1.Cc1ccc(C(C)C)nc1.Cc1ccc(C(C)C)nc1.Cc1ccc(C)n1-c1ccc(C(C)C)nc1.[C-]#[N+]c1ccc(C(C)C)nc1
InChIInChI=1S/C15H15F2N.C15H23N3O2.C14H18N2.C12H18N2O.C10H16N2.C10H13NO.C10H15N.C9H12BrN.C9H12FN.C9H10N2.C9H13NO.2C9H13N.C8H12N2.C8H11N/c1-10(2)15-6-4-12(9-18-15)7-11-3-5-13(16)14(17)8-11;1-12(2)14-5-4-13(10-16-14)18-8-6-17(7-9-18)11-15(19)20-3;1-10(2)14-8-7-13(9-15-14)16-11(3)5-6-12(16)4;1-10(2)12-4-3-11(9-13-12)14-5-7-15-8-6-14;1-8(2)10-6-5-9(7-11-10)12(3)4;1-7(2)10-5-4-9(6-11-10)8(3)12;1-4-9-5-6-10(8(2)3)11-7-9;2*1-9(2,3)8-5-4-7(10)6-11-8;1-7(2)9-5-4-8(10-3)6-11-9;1-7(2)9-5-4-8(11-3)6-10-9;2*1-7(2)9-5-4-8(3)6-10-9;1-6(2)8-4-3-7(9)5-10-8;1-7(2)8-5-3-4-6-9-8/h3-6,8-10H,7H2,1-2H3;4-5,10,12H,6-9,11H2,1-3H3;5-10H,1-4H3;3-4,9-10H,5-8H2,1-2H3;5-8H,1-4H3;4-7H,1-3H3;5-8H,4H2,1-3H3;2*4-6H,1-3H3;4-7H,1-2H3;4-7H,1-3H3;2*4-7H,1-3H3;3-6H,9H2,1-2H3;3-7H,1-2H3
InChIKeyHXNJPVSPZOAJJX-UHFFFAOYSA-N
XLogP38.32
TPSA303.45 Ų
H-Bond Donors1
H-Bond Acceptors26
Rotatable Bonds24
Heavy Atoms187
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002614.47
LogP ≤ 538.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 5-bromo-2-tert-butylpyridine;2-tert-butyl-5-fluoropyridine;5-[(3,4-difluorophenyl)methyl]-2-propan-2-ylpyridine;N,N-dimethyl-6-propan-2-ylpyridin-3-amine;5-(2,5-dimethylpyrrol-1-yl)-2-propan-2-ylpyridine;5-ethyl-2-propan-2-ylpyridine;5-isocyano-2-propan-2-ylpyridine;5-methoxy-2-propan-2-ylpyridine;bis(5-methyl-2-propan-2-ylpyridine);methyl 2-[4-(6-propan-2-yl-3-pyridinyl)piperazin-1-yl]acetate;6-propan-2-ylpyridin-3-amine;2-propan-2-ylpyridine;1-(6-propan-2-yl-3-pyridinyl)ethanone;4-(6-propan-2-yl-3-pyridinyl)morpholine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-tert-butylpyridine;2-tert-butyl-5-fluoropyridine;5-[(3,4-difluorophenyl)methyl]-2-propan-2-ylpyridine;N,N-dimethyl-6-propan-2-ylpyridin-3-amine;5-(2,5-dimethylpyrrol-1-yl)-2-propan-2-ylpyridine;5-ethyl-2-propan-2-ylpyridine;5-isocyano-2-propan-2-ylpyridine;5-methoxy-2-propan-2-ylpyridine;bis(5-methyl-2-propan-2-ylpyridine);methyl 2-[4-(6-propan-2-yl-3-pyridinyl)piperazin-1-yl]acetate;6-propan-2-ylpyridin-3-amine;2-propan-2-ylpyridine;1-(6-propan-2-yl-3-pyridinyl)ethanone;4-(6-propan-2-yl-3-pyridinyl)morpholine?
The IUPAC name of 5-bromo-2-tert-butylpyridine;2-tert-butyl-5-fluoropyridine;5-[(3,4-difluorophenyl)methyl]-2-propan-2-ylpyridine;N,N-dimethyl-6-propan-2-ylpyridin-3-amine;5-(2,5-dimethylpyrrol-1-yl)-2-propan-2-ylpyridine;5-ethyl-2-propan-2-ylpyridine;5-isocyano-2-propan-2-ylpyridine;5-methoxy-2-propan-2-ylpyridine;bis(5-methyl-2-propan-2-ylpyridine);methyl 2-[4-(6-propan-2-yl-3-pyridinyl)piperazin-1-yl]acetate;6-propan-2-ylpyridin-3-amine;2-propan-2-ylpyridine;1-(6-propan-2-yl-3-pyridinyl)ethanone;4-(6-propan-2-yl-3-pyridinyl)morpholine (CID 158617121) is 5-bromo-2-tert-butylpyridine;2-tert-butyl-5-fluoropyridine;5-[(3,4-difluorophenyl)methyl]-2-propan-2-ylpyridine;N,N-dimethyl-6-propan-2-ylpyridin-3-amine;5-(2,5-dimethylpyrrol-1-yl)-2-propan-2-ylpyridine;5-ethyl-2-propan-2-ylpyridine;5-isocyano-2-propan-2-ylpyridine;5-methoxy-2-propan-2-ylpyridine;bis(5-methyl-2-propan-2-ylpyridine);methyl 2-[4-(6-propan-2-yl-3-pyridinyl)piperazin-1-yl]acetate;6-propan-2-ylpyridin-3-amine;2-propan-2-ylpyridine;1-(6-propan-2-yl-3-pyridinyl)ethanone;4-(6-propan-2-yl-3-pyridinyl)morpholine.
What is the SMILES notation for 5-bromo-2-tert-butylpyridine;2-tert-butyl-5-fluoropyridine;5-[(3,4-difluorophenyl)methyl]-2-propan-2-ylpyridine;N,N-dimethyl-6-propan-2-ylpyridin-3-amine;5-(2,5-dimethylpyrrol-1-yl)-2-propan-2-ylpyridine;5-ethyl-2-propan-2-ylpyridine;5-isocyano-2-propan-2-ylpyridine;5-methoxy-2-propan-2-ylpyridine;bis(5-methyl-2-propan-2-ylpyridine);methyl 2-[4-(6-propan-2-yl-3-pyridinyl)piperazin-1-yl]acetate;6-propan-2-ylpyridin-3-amine;2-propan-2-ylpyridine;1-(6-propan-2-yl-3-pyridinyl)ethanone;4-(6-propan-2-yl-3-pyridinyl)morpholine?
The canonical SMILES for 5-bromo-2-tert-butylpyridine;2-tert-butyl-5-fluoropyridine;5-[(3,4-difluorophenyl)methyl]-2-propan-2-ylpyridine;N,N-dimethyl-6-propan-2-ylpyridin-3-amine;5-(2,5-dimethylpyrrol-1-yl)-2-propan-2-ylpyridine;5-ethyl-2-propan-2-ylpyridine;5-isocyano-2-propan-2-ylpyridine;5-methoxy-2-propan-2-ylpyridine;bis(5-methyl-2-propan-2-ylpyridine);methyl 2-[4-(6-propan-2-yl-3-pyridinyl)piperazin-1-yl]acetate;6-propan-2-ylpyridin-3-amine;2-propan-2-ylpyridine;1-(6-propan-2-yl-3-pyridinyl)ethanone;4-(6-propan-2-yl-3-pyridinyl)morpholine is CC(=O)c1ccc(C(C)C)nc1.CC(C)(C)c1ccc(Br)cn1.CC(C)(C)c1ccc(F)cn1.CC(C)c1ccc(Cc2ccc(F)c(F)c2)cn1.CC(C)c1ccc(N(C)C)cn1.CC(C)c1ccc(N)cn1.CC(C)c1ccc(N2CCOCC2)cn1.CC(C)c1ccccn1.CCc1ccc(C(C)C)nc1.COC(=O)CN1CCN(c2ccc(C(C)C)nc2)CC1.COc1ccc(C(C)C)nc1.Cc1ccc(C(C)C)nc1.Cc1ccc(C(C)C)nc1.Cc1ccc(C)n1-c1ccc(C(C)C)nc1.[C-]#[N+]c1ccc(C(C)C)nc1.
What is the InChIKey of 5-bromo-2-tert-butylpyridine;2-tert-butyl-5-fluoropyridine;5-[(3,4-difluorophenyl)methyl]-2-propan-2-ylpyridine;N,N-dimethyl-6-propan-2-ylpyridin-3-amine;5-(2,5-dimethylpyrrol-1-yl)-2-propan-2-ylpyridine;5-ethyl-2-propan-2-ylpyridine;5-isocyano-2-propan-2-ylpyridine;5-methoxy-2-propan-2-ylpyridine;bis(5-methyl-2-propan-2-ylpyridine);methyl 2-[4-(6-propan-2-yl-3-pyridinyl)piperazin-1-yl]acetate;6-propan-2-ylpyridin-3-amine;2-propan-2-ylpyridine;1-(6-propan-2-yl-3-pyridinyl)ethanone;4-(6-propan-2-yl-3-pyridinyl)morpholine?
The InChIKey is HXNJPVSPZOAJJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N.C15H23N3O2.C14H18N2.C12H18N2O.C10H16N2.C10H13NO.C10H15N.C9H12BrN.C9H12FN.C9H10N2.C9H13NO.2C9H13N.C8H12N2.C8H11N/c1-10(2)15-6-4-12(9-18-15)7-11-3-5-13(16)14(17)8-11;1-12(2)14-5-4-13(10-16-14)18-8-6-17(7-9-18)11-15(19)20-3;1-10(2)14-8-7-13(9-15-14)16-11(3)5-6-12(16)4;1-10(2)12-4-3-11(9-13-12)14-5-7-15-8-6-14;1-8(2)10-6-5-9(7-11-10)12(3)4;1-7(2)10-5-4-9(6-11-10)8(3)12;1-4-9-5-6-10(8(2)3)11-7-9;2*1-9(2,3)8-5-4-7(10)6-11-8;1-7(2)9-5-4-8(10-3)6-11-9;1-7(2)9-5-4-8(11-3)6-10-9;2*1-7(2)9-5-4-8(3)6-10-9;1-6(2)8-4-3-7(9)5-10-8;1-7(2)8-5-3-4-6-9-8/h3-6,8-10H,7H2,1-2H3;4-5,10,12H,6-9,11H2,1-3H3;5-10H,1-4H3;3-4,9-10H,5-8H2,1-2H3;5-8H,1-4H3;4-7H,1-3H3;5-8H,4H2,1-3H3;2*4-6H,1-3H3;4-7H,1-2H3;4-7H,1-3H3;2*4-7H,1-3H3;3-6H,9H2,1-2H3;3-7H,1-2H3.
What are the key properties of 5-bromo-2-tert-butylpyridine;2-tert-butyl-5-fluoropyridine;5-[(3,4-difluorophenyl)methyl]-2-propan-2-ylpyridine;N,N-dimethyl-6-propan-2-ylpyridin-3-amine;5-(2,5-dimethylpyrrol-1-yl)-2-propan-2-ylpyridine;5-ethyl-2-propan-2-ylpyridine;5-isocyano-2-propan-2-ylpyridine;5-methoxy-2-propan-2-ylpyridine;bis(5-methyl-2-propan-2-ylpyridine);methyl 2-[4-(6-propan-2-yl-3-pyridinyl)piperazin-1-yl]acetate;6-propan-2-ylpyridin-3-amine;2-propan-2-ylpyridine;1-(6-propan-2-yl-3-pyridinyl)ethanone;4-(6-propan-2-yl-3-pyridinyl)morpholine?
5-bromo-2-tert-butylpyridine;2-tert-butyl-5-fluoropyridine;5-[(3,4-difluorophenyl)methyl]-2-propan-2-ylpyridine;N,N-dimethyl-6-propan-2-ylpyridin-3-amine;5-(2,5-dimethylpyrrol-1-yl)-2-propan-2-ylpyridine;5-ethyl-2-propan-2-ylpyridine;5-isocyano-2-propan-2-ylpyridine;5-methoxy-2-propan-2-ylpyridine;bis(5-methyl-2-propan-2-ylpyridine);methyl 2-[4-(6-propan-2-yl-3-pyridinyl)piperazin-1-yl]acetate;6-propan-2-ylpyridin-3-amine;2-propan-2-ylpyridine;1-(6-propan-2-yl-3-pyridinyl)ethanone;4-(6-propan-2-yl-3-pyridinyl)morpholine has a molecular weight of 2614.47 g/mol, XLogP of 38.32, 24 rotatable bonds, 1 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-tert-butylpyridine;2-tert-butyl-5-fluoropyridine;5-[(3,4-difluorophenyl)methyl]-2-propan-2-ylpyridine;N,N-dimethyl-6-propan-2-ylpyridin-3-amine;5-(2,5-dimethylpyrrol-1-yl)-2-propan-2-ylpyridine;5-ethyl-2-propan-2-ylpyridine;5-isocyano-2-propan-2-ylpyridine;5-methoxy-2-propan-2-ylpyridine;bis(5-methyl-2-propan-2-ylpyridine);methyl 2-[4-(6-propan-2-yl-3-pyridinyl)piperazin-1-yl]acetate;6-propan-2-ylpyridin-3-amine;2-propan-2-ylpyridine;1-(6-propan-2-yl-3-pyridinyl)ethanone;4-(6-propan-2-yl-3-pyridinyl)morpholine is sourced from PubChem (CID 158617121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).