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

C162H218BrF9N20O3 — CID 157452957

IUPAC5-bromo-2-propan-2-ylpyridine;2-tert-butyl-5-fluoropyridine;2-tert-butyl-4-methoxypyridine;5-[(3,4-difluorophenyl)methyl]-2-propan-2-ylpyridine;N,N-dimethyl-6-propan-2-ylpyridin-3-amine;2,4-dimethyl-6-propan-2-ylpyridine;5-ethyl-2-propan-2-ylpyridine;5-isocyano-2-propan-2-ylpyridine;2-methoxy-6-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;bis(4-methyl-2-propan-2-ylpyridine);5-methyl-2-propan-2-ylpyridine;6-propan-2-ylpyridin-3-amine;1-(6-propan-2-yl-3-pyridinyl)ethanone;2-propan-2-yl-4-(trifluoromethyl)pyridine;2-propan-2-yl-5-(trifluoromethyl)pyridine
SMILESCC(=O)c1ccc(C(C)C)nc1.CC(C)(C)c1ccc(F)cn1.CC(C)c1cc(C(F)(F)F)ccn1.CC(C)c1ccc(Br)cn1.CC(C)c1ccc(C(F)(F)F)cn1.CC(C)c1ccc(Cc2ccc(F)c(F)c2)cn1.CC(C)c1ccc(N(C)C)cn1.CC(C)c1ccc(N)cn1.CCc1ccc(C(C)C)nc1.COc1cccc(C(C)C)n1.COc1ccnc(C(C)(C)C)c1.Cc1cc(C)nc(C(C)C)c1.Cc1ccc(C(C)C)nc1.Cc1cccc(C(C)C)n1.Cc1ccnc(C(C)C)c1.Cc1ccnc(C(C)C)c1.[C-]#[N+]c1ccc(C(C)C)nc1
InChIInChI=1S/C15H15F2N.C10H16N2.C10H15NO.C10H13NO.2C10H15N.2C9H10F3N.C9H12FN.C9H10N2.C9H13NO.4C9H13N.C8H10BrN.C8H12N2/c1-10(2)15-6-4-12(9-18-15)7-11-3-5-13(16)14(17)8-11;1-8(2)10-6-5-9(7-11-10)12(3)4;1-10(2,3)9-7-8(12-4)5-6-11-9;1-7(2)10-5-4-9(6-11-10)8(3)12;1-7(2)10-6-8(3)5-9(4)11-10;1-4-9-5-6-10(8(2)3)11-7-9;1-6(2)8-5-7(3-4-13-8)9(10,11)12;1-6(2)8-4-3-7(5-13-8)9(10,11)12;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)8-5-4-6-9(10-8)11-3;2*1-7(2)9-6-8(3)4-5-10-9;1-7(2)9-5-4-8(3)6-10-9;1-7(2)9-6-4-5-8(3)10-9;2*1-6(2)8-4-3-7(9)5-10-8/h3-6,8-10H,7H2,1-2H3;5-8H,1-4H3;5-7H,1-4H3;4-7H,1-3H3;5-7H,1-4H3;5-8H,4H2,1-3H3;2*3-6H,1-2H3;4-6H,1-3H3;4-7H,1-2H3;4-7H,1-3H3;4*4-7H,1-3H3;3-6H,1-2H3;3-6H,9H2,1-2H3
InChIKeyBSZXHFRSFIUNHC-UHFFFAOYSA-N
MW2744.55 g/mol
LogP45.47
Rot. Bonds22

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

5-bromo-2-propan-2-ylpyridine;2-tert-butyl-5-fluoropyridine;2-tert-butyl-4-methoxypyridine;5-[(3,4-difluorophenyl)methyl]-2-propan-2-ylpyridine;N,N-dimethyl-6-propan-2-ylpyridin-3-amine;2,4-dimethyl-6-propan-2-ylpyridine;5-ethyl-2-propan-2-ylpyridine;5-isocyano-2-propan-2-ylpyridine;2-methoxy-6-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;bis(4-methyl-2-propan-2-ylpyridine);5-methyl-2-propan-2-ylpyridine;6-propan-2-ylpyridin-3-amine;1-(6-propan-2-yl-3-pyridinyl)ethanone;2-propan-2-yl-4-(trifluoromethyl)pyridine;2-propan-2-yl-5-(trifluoromethyl)pyridine (PubChem CID 157452957) has the molecular formula C162H218BrF9N20O3 and a molecular weight of 2744.55 g/mol. Its IUPAC name is 5-bromo-2-propan-2-ylpyridine;2-tert-butyl-5-fluoropyridine;2-tert-butyl-4-methoxypyridine;5-[(3,4-difluorophenyl)methyl]-2-propan-2-ylpyridine;N,N-dimethyl-6-propan-2-ylpyridin-3-amine;2,4-dimethyl-6-propan-2-ylpyridine;5-ethyl-2-propan-2-ylpyridine;5-isocyano-2-propan-2-ylpyridine;2-methoxy-6-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;bis(4-methyl-2-propan-2-ylpyridine);5-methyl-2-propan-2-ylpyridine;6-propan-2-ylpyridin-3-amine;1-(6-propan-2-yl-3-pyridinyl)ethanone;2-propan-2-yl-4-(trifluoromethyl)pyridine;2-propan-2-yl-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name5-bromo-2-propan-2-ylpyridine;2-tert-butyl-5-fluoropyridine;2-tert-butyl-4-methoxypyridine;5-[(3,4-difluorophenyl)methyl]-2-propan-2-ylpyridine;N,N-dimethyl-6-propan-2-ylpyridin-3-amine;2,4-dimethyl-6-propan-2-ylpyridine;5-ethyl-2-propan-2-ylpyridine;5-isocyano-2-propan-2-ylpyridine;2-methoxy-6-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;bis(4-methyl-2-propan-2-ylpyridine);5-methyl-2-propan-2-ylpyridine;6-propan-2-ylpyridin-3-amine;1-(6-propan-2-yl-3-pyridinyl)ethanone;2-propan-2-yl-4-(trifluoromethyl)pyridine;2-propan-2-yl-5-(trifluoromethyl)pyridine
PubChem CID157452957
Molecular FormulaC162H218BrF9N20O3
Molecular Weight2744.55 g/mol
Exact Mass2741.66
IUPAC Name5-bromo-2-propan-2-ylpyridine;2-tert-butyl-5-fluoropyridine;2-tert-butyl-4-methoxypyridine;5-[(3,4-difluorophenyl)methyl]-2-propan-2-ylpyridine;N,N-dimethyl-6-propan-2-ylpyridin-3-amine;2,4-dimethyl-6-propan-2-ylpyridine;5-ethyl-2-propan-2-ylpyridine;5-isocyano-2-propan-2-ylpyridine;2-methoxy-6-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;bis(4-methyl-2-propan-2-ylpyridine);5-methyl-2-propan-2-ylpyridine;6-propan-2-ylpyridin-3-amine;1-(6-propan-2-yl-3-pyridinyl)ethanone;2-propan-2-yl-4-(trifluoromethyl)pyridine;2-propan-2-yl-5-(trifluoromethyl)pyridine
SMILESCC(=O)c1ccc(C(C)C)nc1.CC(C)(C)c1ccc(F)cn1.CC(C)c1cc(C(F)(F)F)ccn1.CC(C)c1ccc(Br)cn1.CC(C)c1ccc(C(F)(F)F)cn1.CC(C)c1ccc(Cc2ccc(F)c(F)c2)cn1.CC(C)c1ccc(N(C)C)cn1.CC(C)c1ccc(N)cn1.CCc1ccc(C(C)C)nc1.COc1cccc(C(C)C)n1.COc1ccnc(C(C)(C)C)c1.Cc1cc(C)nc(C(C)C)c1.Cc1ccc(C(C)C)nc1.Cc1cccc(C(C)C)n1.Cc1ccnc(C(C)C)c1.Cc1ccnc(C(C)C)c1.[C-]#[N+]c1ccc(C(C)C)nc1
InChIInChI=1S/C15H15F2N.C10H16N2.C10H15NO.C10H13NO.2C10H15N.2C9H10F3N.C9H12FN.C9H10N2.C9H13NO.4C9H13N.C8H10BrN.C8H12N2/c1-10(2)15-6-4-12(9-18-15)7-11-3-5-13(16)14(17)8-11;1-8(2)10-6-5-9(7-11-10)12(3)4;1-10(2,3)9-7-8(12-4)5-6-11-9;1-7(2)10-5-4-9(6-11-10)8(3)12;1-7(2)10-6-8(3)5-9(4)11-10;1-4-9-5-6-10(8(2)3)11-7-9;1-6(2)8-5-7(3-4-13-8)9(10,11)12;1-6(2)8-4-3-7(5-13-8)9(10,11)12;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)8-5-4-6-9(10-8)11-3;2*1-7(2)9-6-8(3)4-5-10-9;1-7(2)9-5-4-8(3)6-10-9;1-7(2)9-6-4-5-8(3)10-9;2*1-6(2)8-4-3-7(9)5-10-8/h3-6,8-10H,7H2,1-2H3;5-8H,1-4H3;5-7H,1-4H3;4-7H,1-3H3;5-7H,1-4H3;5-8H,4H2,1-3H3;2*3-6H,1-2H3;4-6H,1-3H3;4-7H,1-2H3;4-7H,1-3H3;4*4-7H,1-3H3;3-6H,1-2H3;3-6H,9H2,1-2H3
InChIKeyBSZXHFRSFIUNHC-UHFFFAOYSA-N
XLogP45.47
TPSA288.28 Ų
H-Bond Donors1
H-Bond Acceptors22
Rotatable Bonds22
Heavy Atoms195
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002744.55
LogP ≤ 545.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

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

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

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-propan-2-ylpyridine;2-tert-butyl-5-fluoropyridine;2-tert-butyl-4-methoxypyridine;5-[(3,4-difluorophenyl)methyl]-2-propan-2-ylpyridine;N,N-dimethyl-6-propan-2-ylpyridin-3-amine;2,4-dimethyl-6-propan-2-ylpyridine;5-ethyl-2-propan-2-ylpyridine;5-isocyano-2-propan-2-ylpyridine;2-methoxy-6-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;bis(4-methyl-2-propan-2-ylpyridine);5-methyl-2-propan-2-ylpyridine;6-propan-2-ylpyridin-3-amine;1-(6-propan-2-yl-3-pyridinyl)ethanone;2-propan-2-yl-4-(trifluoromethyl)pyridine;2-propan-2-yl-5-(trifluoromethyl)pyridine?
The IUPAC name of 5-bromo-2-propan-2-ylpyridine;2-tert-butyl-5-fluoropyridine;2-tert-butyl-4-methoxypyridine;5-[(3,4-difluorophenyl)methyl]-2-propan-2-ylpyridine;N,N-dimethyl-6-propan-2-ylpyridin-3-amine;2,4-dimethyl-6-propan-2-ylpyridine;5-ethyl-2-propan-2-ylpyridine;5-isocyano-2-propan-2-ylpyridine;2-methoxy-6-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;bis(4-methyl-2-propan-2-ylpyridine);5-methyl-2-propan-2-ylpyridine;6-propan-2-ylpyridin-3-amine;1-(6-propan-2-yl-3-pyridinyl)ethanone;2-propan-2-yl-4-(trifluoromethyl)pyridine;2-propan-2-yl-5-(trifluoromethyl)pyridine (CID 157452957) is 5-bromo-2-propan-2-ylpyridine;2-tert-butyl-5-fluoropyridine;2-tert-butyl-4-methoxypyridine;5-[(3,4-difluorophenyl)methyl]-2-propan-2-ylpyridine;N,N-dimethyl-6-propan-2-ylpyridin-3-amine;2,4-dimethyl-6-propan-2-ylpyridine;5-ethyl-2-propan-2-ylpyridine;5-isocyano-2-propan-2-ylpyridine;2-methoxy-6-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;bis(4-methyl-2-propan-2-ylpyridine);5-methyl-2-propan-2-ylpyridine;6-propan-2-ylpyridin-3-amine;1-(6-propan-2-yl-3-pyridinyl)ethanone;2-propan-2-yl-4-(trifluoromethyl)pyridine;2-propan-2-yl-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 5-bromo-2-propan-2-ylpyridine;2-tert-butyl-5-fluoropyridine;2-tert-butyl-4-methoxypyridine;5-[(3,4-difluorophenyl)methyl]-2-propan-2-ylpyridine;N,N-dimethyl-6-propan-2-ylpyridin-3-amine;2,4-dimethyl-6-propan-2-ylpyridine;5-ethyl-2-propan-2-ylpyridine;5-isocyano-2-propan-2-ylpyridine;2-methoxy-6-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;bis(4-methyl-2-propan-2-ylpyridine);5-methyl-2-propan-2-ylpyridine;6-propan-2-ylpyridin-3-amine;1-(6-propan-2-yl-3-pyridinyl)ethanone;2-propan-2-yl-4-(trifluoromethyl)pyridine;2-propan-2-yl-5-(trifluoromethyl)pyridine?
The canonical SMILES for 5-bromo-2-propan-2-ylpyridine;2-tert-butyl-5-fluoropyridine;2-tert-butyl-4-methoxypyridine;5-[(3,4-difluorophenyl)methyl]-2-propan-2-ylpyridine;N,N-dimethyl-6-propan-2-ylpyridin-3-amine;2,4-dimethyl-6-propan-2-ylpyridine;5-ethyl-2-propan-2-ylpyridine;5-isocyano-2-propan-2-ylpyridine;2-methoxy-6-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;bis(4-methyl-2-propan-2-ylpyridine);5-methyl-2-propan-2-ylpyridine;6-propan-2-ylpyridin-3-amine;1-(6-propan-2-yl-3-pyridinyl)ethanone;2-propan-2-yl-4-(trifluoromethyl)pyridine;2-propan-2-yl-5-(trifluoromethyl)pyridine is CC(=O)c1ccc(C(C)C)nc1.CC(C)(C)c1ccc(F)cn1.CC(C)c1cc(C(F)(F)F)ccn1.CC(C)c1ccc(Br)cn1.CC(C)c1ccc(C(F)(F)F)cn1.CC(C)c1ccc(Cc2ccc(F)c(F)c2)cn1.CC(C)c1ccc(N(C)C)cn1.CC(C)c1ccc(N)cn1.CCc1ccc(C(C)C)nc1.COc1cccc(C(C)C)n1.COc1ccnc(C(C)(C)C)c1.Cc1cc(C)nc(C(C)C)c1.Cc1ccc(C(C)C)nc1.Cc1cccc(C(C)C)n1.Cc1ccnc(C(C)C)c1.Cc1ccnc(C(C)C)c1.[C-]#[N+]c1ccc(C(C)C)nc1.
What is the InChIKey of 5-bromo-2-propan-2-ylpyridine;2-tert-butyl-5-fluoropyridine;2-tert-butyl-4-methoxypyridine;5-[(3,4-difluorophenyl)methyl]-2-propan-2-ylpyridine;N,N-dimethyl-6-propan-2-ylpyridin-3-amine;2,4-dimethyl-6-propan-2-ylpyridine;5-ethyl-2-propan-2-ylpyridine;5-isocyano-2-propan-2-ylpyridine;2-methoxy-6-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;bis(4-methyl-2-propan-2-ylpyridine);5-methyl-2-propan-2-ylpyridine;6-propan-2-ylpyridin-3-amine;1-(6-propan-2-yl-3-pyridinyl)ethanone;2-propan-2-yl-4-(trifluoromethyl)pyridine;2-propan-2-yl-5-(trifluoromethyl)pyridine?
The InChIKey is BSZXHFRSFIUNHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N.C10H16N2.C10H15NO.C10H13NO.2C10H15N.2C9H10F3N.C9H12FN.C9H10N2.C9H13NO.4C9H13N.C8H10BrN.C8H12N2/c1-10(2)15-6-4-12(9-18-15)7-11-3-5-13(16)14(17)8-11;1-8(2)10-6-5-9(7-11-10)12(3)4;1-10(2,3)9-7-8(12-4)5-6-11-9;1-7(2)10-5-4-9(6-11-10)8(3)12;1-7(2)10-6-8(3)5-9(4)11-10;1-4-9-5-6-10(8(2)3)11-7-9;1-6(2)8-5-7(3-4-13-8)9(10,11)12;1-6(2)8-4-3-7(5-13-8)9(10,11)12;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)8-5-4-6-9(10-8)11-3;2*1-7(2)9-6-8(3)4-5-10-9;1-7(2)9-5-4-8(3)6-10-9;1-7(2)9-6-4-5-8(3)10-9;2*1-6(2)8-4-3-7(9)5-10-8/h3-6,8-10H,7H2,1-2H3;5-8H,1-4H3;5-7H,1-4H3;4-7H,1-3H3;5-7H,1-4H3;5-8H,4H2,1-3H3;2*3-6H,1-2H3;4-6H,1-3H3;4-7H,1-2H3;4-7H,1-3H3;4*4-7H,1-3H3;3-6H,1-2H3;3-6H,9H2,1-2H3.
What are the key properties of 5-bromo-2-propan-2-ylpyridine;2-tert-butyl-5-fluoropyridine;2-tert-butyl-4-methoxypyridine;5-[(3,4-difluorophenyl)methyl]-2-propan-2-ylpyridine;N,N-dimethyl-6-propan-2-ylpyridin-3-amine;2,4-dimethyl-6-propan-2-ylpyridine;5-ethyl-2-propan-2-ylpyridine;5-isocyano-2-propan-2-ylpyridine;2-methoxy-6-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;bis(4-methyl-2-propan-2-ylpyridine);5-methyl-2-propan-2-ylpyridine;6-propan-2-ylpyridin-3-amine;1-(6-propan-2-yl-3-pyridinyl)ethanone;2-propan-2-yl-4-(trifluoromethyl)pyridine;2-propan-2-yl-5-(trifluoromethyl)pyridine?
5-bromo-2-propan-2-ylpyridine;2-tert-butyl-5-fluoropyridine;2-tert-butyl-4-methoxypyridine;5-[(3,4-difluorophenyl)methyl]-2-propan-2-ylpyridine;N,N-dimethyl-6-propan-2-ylpyridin-3-amine;2,4-dimethyl-6-propan-2-ylpyridine;5-ethyl-2-propan-2-ylpyridine;5-isocyano-2-propan-2-ylpyridine;2-methoxy-6-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;bis(4-methyl-2-propan-2-ylpyridine);5-methyl-2-propan-2-ylpyridine;6-propan-2-ylpyridin-3-amine;1-(6-propan-2-yl-3-pyridinyl)ethanone;2-propan-2-yl-4-(trifluoromethyl)pyridine;2-propan-2-yl-5-(trifluoromethyl)pyridine has a molecular weight of 2744.55 g/mol, XLogP of 45.47, 22 rotatable bonds, 1 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-propan-2-ylpyridine;2-tert-butyl-5-fluoropyridine;2-tert-butyl-4-methoxypyridine;5-[(3,4-difluorophenyl)methyl]-2-propan-2-ylpyridine;N,N-dimethyl-6-propan-2-ylpyridin-3-amine;2,4-dimethyl-6-propan-2-ylpyridine;5-ethyl-2-propan-2-ylpyridine;5-isocyano-2-propan-2-ylpyridine;2-methoxy-6-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;bis(4-methyl-2-propan-2-ylpyridine);5-methyl-2-propan-2-ylpyridine;6-propan-2-ylpyridin-3-amine;1-(6-propan-2-yl-3-pyridinyl)ethanone;2-propan-2-yl-4-(trifluoromethyl)pyridine;2-propan-2-yl-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 157452957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).