3-bromo-5-tert-butylpyridine;3-tert-butyl-5-chloropyridine;3-tert-butyl-5-ethenylpyridine;3-tert-butyl-5-ethylpyridine;3-tert-butyl-5-fluoropyridine;3-tert-butyl-5-methoxypyridine;4-tert-butyl-2-methoxypyridine;3-tert-butyl-2-methylpyridine;3-tert-butyl-4-methylpyridine;3-tert-butyl-5-methylpyridine;4-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyridine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;3-tert-butyl-5-(trifluoromethyl)pyridine

C156H224BrClF4N16O2 — CID 157209488

IUPAC3-bromo-5-tert-butylpyridine;3-tert-butyl-5-chloropyridine;3-tert-butyl-5-ethenylpyridine;3-tert-butyl-5-ethylpyridine;3-tert-butyl-5-fluoropyridine;3-tert-butyl-5-methoxypyridine;4-tert-butyl-2-methoxypyridine;3-tert-butyl-2-methylpyridine;3-tert-butyl-4-methylpyridine;3-tert-butyl-5-methylpyridine;4-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyridine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;3-tert-butyl-5-(trifluoromethyl)pyridine
SMILESC=Cc1cncc(C(C)(C)C)c1.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC(C)(C)c1ccncc1.CC(C)(C)c1cncc(Br)c1.CC(C)(C)c1cncc(C(F)(F)F)c1.CC(C)(C)c1cncc(Cl)c1.CC(C)(C)c1cncc(F)c1.CCc1cncc(C(C)(C)C)c1.COc1cc(C(C)(C)C)ccn1.COc1cncc(C(C)(C)C)c1.Cc1cc(C(C)(C)C)ccn1.Cc1ccc(C(C)(C)C)cn1.Cc1ccncc1C(C)(C)C.Cc1cncc(C(C)(C)C)c1.Cc1ncccc1C(C)(C)C
InChIInChI=1S/C11H17N.C11H15N.C10H12F3N.2C10H15NO.5C10H15N.C9H12BrN.C9H12ClN.C9H12FN.3C9H13N/c2*1-5-9-6-10(8-12-7-9)11(2,3)4;1-9(2,3)7-4-8(6-14-5-7)10(11,12)13;1-10(2,3)8-5-9(12-4)7-11-6-8;1-10(2,3)8-5-6-11-9(7-8)12-4;1-8-5-9(7-11-6-8)10(2,3)4;1-8-7-9(5-6-11-8)10(2,3)4;1-8-5-6-11-7-9(8)10(2,3)4;1-8-5-6-9(7-11-8)10(2,3)4;1-8-9(10(2,3)4)6-5-7-11-8;3*1-9(2,3)7-4-8(10)6-11-5-7;1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)8-6-4-5-7-10-8/h6-8H,5H2,1-4H3;5-8H,1H2,2-4H3;4-6H,1-3H3;2*5-7H,1-4H3;5*5-7H,1-4H3;3*4-6H,1-3H3;3*4-7H,1-3H3
InChIKeyARSOQEVHKRSKBU-UHFFFAOYSA-N
MW2546.97 g/mol
LogP43.40
Rot. Bonds4

About 3-bromo-5-tert-butylpyridine;3-tert-butyl-5-chloropyridine;3-tert-butyl-5-ethenylpyridine;3-tert-butyl-5-ethylpyridine;3-tert-butyl-5-fluoropyridine;3-tert-butyl-5-methoxypyridine;4-tert-butyl-2-methoxypyridine;3-tert-butyl-2-methylpyridine;3-tert-butyl-4-methylpyridine;3-tert-butyl-5-methylpyridine;4-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyridine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;3-tert-butyl-5-(trifluoromethyl)pyridine

3-bromo-5-tert-butylpyridine;3-tert-butyl-5-chloropyridine;3-tert-butyl-5-ethenylpyridine;3-tert-butyl-5-ethylpyridine;3-tert-butyl-5-fluoropyridine;3-tert-butyl-5-methoxypyridine;4-tert-butyl-2-methoxypyridine;3-tert-butyl-2-methylpyridine;3-tert-butyl-4-methylpyridine;3-tert-butyl-5-methylpyridine;4-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyridine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;3-tert-butyl-5-(trifluoromethyl)pyridine (PubChem CID 157209488) has the molecular formula C156H224BrClF4N16O2 and a molecular weight of 2546.97 g/mol. Its IUPAC name is 3-bromo-5-tert-butylpyridine;3-tert-butyl-5-chloropyridine;3-tert-butyl-5-ethenylpyridine;3-tert-butyl-5-ethylpyridine;3-tert-butyl-5-fluoropyridine;3-tert-butyl-5-methoxypyridine;4-tert-butyl-2-methoxypyridine;3-tert-butyl-2-methylpyridine;3-tert-butyl-4-methylpyridine;3-tert-butyl-5-methylpyridine;4-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyridine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;3-tert-butyl-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-bromo-5-tert-butylpyridine;3-tert-butyl-5-chloropyridine;3-tert-butyl-5-ethenylpyridine;3-tert-butyl-5-ethylpyridine;3-tert-butyl-5-fluoropyridine;3-tert-butyl-5-methoxypyridine;4-tert-butyl-2-methoxypyridine;3-tert-butyl-2-methylpyridine;3-tert-butyl-4-methylpyridine;3-tert-butyl-5-methylpyridine;4-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyridine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;3-tert-butyl-5-(trifluoromethyl)pyridine
PubChem CID157209488
Molecular FormulaC156H224BrClF4N16O2
Molecular Weight2546.97 g/mol
Exact Mass2543.67
IUPAC Name3-bromo-5-tert-butylpyridine;3-tert-butyl-5-chloropyridine;3-tert-butyl-5-ethenylpyridine;3-tert-butyl-5-ethylpyridine;3-tert-butyl-5-fluoropyridine;3-tert-butyl-5-methoxypyridine;4-tert-butyl-2-methoxypyridine;3-tert-butyl-2-methylpyridine;3-tert-butyl-4-methylpyridine;3-tert-butyl-5-methylpyridine;4-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyridine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;3-tert-butyl-5-(trifluoromethyl)pyridine
SMILESC=Cc1cncc(C(C)(C)C)c1.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC(C)(C)c1ccncc1.CC(C)(C)c1cncc(Br)c1.CC(C)(C)c1cncc(C(F)(F)F)c1.CC(C)(C)c1cncc(Cl)c1.CC(C)(C)c1cncc(F)c1.CCc1cncc(C(C)(C)C)c1.COc1cc(C(C)(C)C)ccn1.COc1cncc(C(C)(C)C)c1.Cc1cc(C(C)(C)C)ccn1.Cc1ccc(C(C)(C)C)cn1.Cc1ccncc1C(C)(C)C.Cc1cncc(C(C)(C)C)c1.Cc1ncccc1C(C)(C)C
InChIInChI=1S/C11H17N.C11H15N.C10H12F3N.2C10H15NO.5C10H15N.C9H12BrN.C9H12ClN.C9H12FN.3C9H13N/c2*1-5-9-6-10(8-12-7-9)11(2,3)4;1-9(2,3)7-4-8(6-14-5-7)10(11,12)13;1-10(2,3)8-5-9(12-4)7-11-6-8;1-10(2,3)8-5-6-11-9(7-8)12-4;1-8-5-9(7-11-6-8)10(2,3)4;1-8-7-9(5-6-11-8)10(2,3)4;1-8-5-6-11-7-9(8)10(2,3)4;1-8-5-6-9(7-11-8)10(2,3)4;1-8-9(10(2,3)4)6-5-7-11-8;3*1-9(2,3)7-4-8(10)6-11-5-7;1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)8-6-4-5-7-10-8/h6-8H,5H2,1-4H3;5-8H,1H2,2-4H3;4-6H,1-3H3;2*5-7H,1-4H3;5*5-7H,1-4H3;3*4-6H,1-3H3;3*4-7H,1-3H3
InChIKeyARSOQEVHKRSKBU-UHFFFAOYSA-N
XLogP43.40
TPSA224.70 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds4
Heavy Atoms180
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002546.97
LogP ≤ 543.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze 3-bromo-5-tert-butylpyridine;3-tert-butyl-5-chloropyridine;3-tert-butyl-5-ethenylpyridine;3-tert-butyl-5-ethylpyridine;3-tert-butyl-5-fluoropyridine;3-tert-butyl-5-methoxypyridine;4-tert-butyl-2-methoxypyridine;3-tert-butyl-2-methylpyridine;3-tert-butyl-4-methylpyridine;3-tert-butyl-5-methylpyridine;4-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyridine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;3-tert-butyl-5-(trifluoromethyl)pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-tert-butylpyridine;3-tert-butyl-5-chloropyridine;3-tert-butyl-5-ethenylpyridine;3-tert-butyl-5-ethylpyridine;3-tert-butyl-5-fluoropyridine;3-tert-butyl-5-methoxypyridine;4-tert-butyl-2-methoxypyridine;3-tert-butyl-2-methylpyridine;3-tert-butyl-4-methylpyridine;3-tert-butyl-5-methylpyridine;4-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyridine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;3-tert-butyl-5-(trifluoromethyl)pyridine?
The IUPAC name of 3-bromo-5-tert-butylpyridine;3-tert-butyl-5-chloropyridine;3-tert-butyl-5-ethenylpyridine;3-tert-butyl-5-ethylpyridine;3-tert-butyl-5-fluoropyridine;3-tert-butyl-5-methoxypyridine;4-tert-butyl-2-methoxypyridine;3-tert-butyl-2-methylpyridine;3-tert-butyl-4-methylpyridine;3-tert-butyl-5-methylpyridine;4-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyridine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;3-tert-butyl-5-(trifluoromethyl)pyridine (CID 157209488) is 3-bromo-5-tert-butylpyridine;3-tert-butyl-5-chloropyridine;3-tert-butyl-5-ethenylpyridine;3-tert-butyl-5-ethylpyridine;3-tert-butyl-5-fluoropyridine;3-tert-butyl-5-methoxypyridine;4-tert-butyl-2-methoxypyridine;3-tert-butyl-2-methylpyridine;3-tert-butyl-4-methylpyridine;3-tert-butyl-5-methylpyridine;4-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyridine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;3-tert-butyl-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-bromo-5-tert-butylpyridine;3-tert-butyl-5-chloropyridine;3-tert-butyl-5-ethenylpyridine;3-tert-butyl-5-ethylpyridine;3-tert-butyl-5-fluoropyridine;3-tert-butyl-5-methoxypyridine;4-tert-butyl-2-methoxypyridine;3-tert-butyl-2-methylpyridine;3-tert-butyl-4-methylpyridine;3-tert-butyl-5-methylpyridine;4-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyridine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;3-tert-butyl-5-(trifluoromethyl)pyridine?
The canonical SMILES for 3-bromo-5-tert-butylpyridine;3-tert-butyl-5-chloropyridine;3-tert-butyl-5-ethenylpyridine;3-tert-butyl-5-ethylpyridine;3-tert-butyl-5-fluoropyridine;3-tert-butyl-5-methoxypyridine;4-tert-butyl-2-methoxypyridine;3-tert-butyl-2-methylpyridine;3-tert-butyl-4-methylpyridine;3-tert-butyl-5-methylpyridine;4-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyridine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;3-tert-butyl-5-(trifluoromethyl)pyridine is C=Cc1cncc(C(C)(C)C)c1.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC(C)(C)c1ccncc1.CC(C)(C)c1cncc(Br)c1.CC(C)(C)c1cncc(C(F)(F)F)c1.CC(C)(C)c1cncc(Cl)c1.CC(C)(C)c1cncc(F)c1.CCc1cncc(C(C)(C)C)c1.COc1cc(C(C)(C)C)ccn1.COc1cncc(C(C)(C)C)c1.Cc1cc(C(C)(C)C)ccn1.Cc1ccc(C(C)(C)C)cn1.Cc1ccncc1C(C)(C)C.Cc1cncc(C(C)(C)C)c1.Cc1ncccc1C(C)(C)C.
What is the InChIKey of 3-bromo-5-tert-butylpyridine;3-tert-butyl-5-chloropyridine;3-tert-butyl-5-ethenylpyridine;3-tert-butyl-5-ethylpyridine;3-tert-butyl-5-fluoropyridine;3-tert-butyl-5-methoxypyridine;4-tert-butyl-2-methoxypyridine;3-tert-butyl-2-methylpyridine;3-tert-butyl-4-methylpyridine;3-tert-butyl-5-methylpyridine;4-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyridine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;3-tert-butyl-5-(trifluoromethyl)pyridine?
The InChIKey is ARSOQEVHKRSKBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N.C11H15N.C10H12F3N.2C10H15NO.5C10H15N.C9H12BrN.C9H12ClN.C9H12FN.3C9H13N/c2*1-5-9-6-10(8-12-7-9)11(2,3)4;1-9(2,3)7-4-8(6-14-5-7)10(11,12)13;1-10(2,3)8-5-9(12-4)7-11-6-8;1-10(2,3)8-5-6-11-9(7-8)12-4;1-8-5-9(7-11-6-8)10(2,3)4;1-8-7-9(5-6-11-8)10(2,3)4;1-8-5-6-11-7-9(8)10(2,3)4;1-8-5-6-9(7-11-8)10(2,3)4;1-8-9(10(2,3)4)6-5-7-11-8;3*1-9(2,3)7-4-8(10)6-11-5-7;1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)8-6-4-5-7-10-8/h6-8H,5H2,1-4H3;5-8H,1H2,2-4H3;4-6H,1-3H3;2*5-7H,1-4H3;5*5-7H,1-4H3;3*4-6H,1-3H3;3*4-7H,1-3H3.
What are the key properties of 3-bromo-5-tert-butylpyridine;3-tert-butyl-5-chloropyridine;3-tert-butyl-5-ethenylpyridine;3-tert-butyl-5-ethylpyridine;3-tert-butyl-5-fluoropyridine;3-tert-butyl-5-methoxypyridine;4-tert-butyl-2-methoxypyridine;3-tert-butyl-2-methylpyridine;3-tert-butyl-4-methylpyridine;3-tert-butyl-5-methylpyridine;4-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyridine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;3-tert-butyl-5-(trifluoromethyl)pyridine?
3-bromo-5-tert-butylpyridine;3-tert-butyl-5-chloropyridine;3-tert-butyl-5-ethenylpyridine;3-tert-butyl-5-ethylpyridine;3-tert-butyl-5-fluoropyridine;3-tert-butyl-5-methoxypyridine;4-tert-butyl-2-methoxypyridine;3-tert-butyl-2-methylpyridine;3-tert-butyl-4-methylpyridine;3-tert-butyl-5-methylpyridine;4-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyridine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;3-tert-butyl-5-(trifluoromethyl)pyridine has a molecular weight of 2546.97 g/mol, XLogP of 43.40, 4 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-tert-butylpyridine;3-tert-butyl-5-chloropyridine;3-tert-butyl-5-ethenylpyridine;3-tert-butyl-5-ethylpyridine;3-tert-butyl-5-fluoropyridine;3-tert-butyl-5-methoxypyridine;4-tert-butyl-2-methoxypyridine;3-tert-butyl-2-methylpyridine;3-tert-butyl-4-methylpyridine;3-tert-butyl-5-methylpyridine;4-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyridine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;3-tert-butyl-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 157209488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).