2-bromo-6-tert-butylpyridine;4-bromo-2-tert-butylpyridine;2-tert-butyl-4-chloropyridine;2-tert-butyl-6-chloropyridine;2-tert-butyl-4-fluoropyridine;2-tert-butyl-6-fluoropyridine;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine;4-tert-butyl-2-(trifluoromethyl)pyridine;2-tert-butyl-4-(trifluoromethyl)thiophene;4-tert-butyl-2-(trifluoromethyl)thiophene

C102H130Br2Cl2F17N9S2 — CID 159948325

IUPAC2-bromo-6-tert-butylpyridine;4-bromo-2-tert-butylpyridine;2-tert-butyl-4-chloropyridine;2-tert-butyl-6-chloropyridine;2-tert-butyl-4-fluoropyridine;2-tert-butyl-6-fluoropyridine;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine;4-tert-butyl-2-(trifluoromethyl)pyridine;2-tert-butyl-4-(trifluoromethyl)thiophene;4-tert-butyl-2-(trifluoromethyl)thiophene
SMILESCC(C)(C)c1cc(Br)ccn1.CC(C)(C)c1cc(C(F)(F)F)ccn1.CC(C)(C)c1cc(C(F)(F)F)cs1.CC(C)(C)c1cc(Cl)ccn1.CC(C)(C)c1cc(F)ccn1.CC(C)(C)c1cccc(Br)n1.CC(C)(C)c1cccc(C(F)(F)F)n1.CC(C)(C)c1cccc(Cl)n1.CC(C)(C)c1cccc(F)n1.CC(C)(C)c1ccnc(C(F)(F)F)c1.CC(C)(C)c1csc(C(F)(F)F)c1
InChIInChI=1S/3C10H12F3N.2C9H12BrN.2C9H12ClN.2C9H11F3S.2C9H12FN/c1-9(2,3)8-6-7(4-5-14-8)10(11,12)13;1-9(2,3)7-4-5-14-8(6-7)10(11,12)13;1-9(2,3)7-5-4-6-8(14-7)10(11,12)13;1-9(2,3)8-6-7(10)4-5-11-8;1-9(2,3)7-5-4-6-8(10)11-7;1-9(2,3)8-6-7(10)4-5-11-8;1-9(2,3)7-5-4-6-8(10)11-7;1-8(2,3)7-4-6(5-13-7)9(10,11)12;1-8(2,3)6-4-7(13-5-6)9(10,11)12;1-9(2,3)8-6-7(10)4-5-11-8;1-9(2,3)7-5-4-6-8(10)11-7/h3*4-6H,1-3H3;4*4-6H,1-3H3;2*4-5H,1-3H3;2*4-6H,1-3H3
InChIKeyOBTWEQCTTADYAI-UHFFFAOYSA-N
MW2100.04 g/mol
LogP35.71
Rot. Bonds

About 2-bromo-6-tert-butylpyridine;4-bromo-2-tert-butylpyridine;2-tert-butyl-4-chloropyridine;2-tert-butyl-6-chloropyridine;2-tert-butyl-4-fluoropyridine;2-tert-butyl-6-fluoropyridine;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine;4-tert-butyl-2-(trifluoromethyl)pyridine;2-tert-butyl-4-(trifluoromethyl)thiophene;4-tert-butyl-2-(trifluoromethyl)thiophene

2-bromo-6-tert-butylpyridine;4-bromo-2-tert-butylpyridine;2-tert-butyl-4-chloropyridine;2-tert-butyl-6-chloropyridine;2-tert-butyl-4-fluoropyridine;2-tert-butyl-6-fluoropyridine;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine;4-tert-butyl-2-(trifluoromethyl)pyridine;2-tert-butyl-4-(trifluoromethyl)thiophene;4-tert-butyl-2-(trifluoromethyl)thiophene (PubChem CID 159948325) has the molecular formula C102H130Br2Cl2F17N9S2 and a molecular weight of 2100.04 g/mol. Its IUPAC name is 2-bromo-6-tert-butylpyridine;4-bromo-2-tert-butylpyridine;2-tert-butyl-4-chloropyridine;2-tert-butyl-6-chloropyridine;2-tert-butyl-4-fluoropyridine;2-tert-butyl-6-fluoropyridine;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine;4-tert-butyl-2-(trifluoromethyl)pyridine;2-tert-butyl-4-(trifluoromethyl)thiophene;4-tert-butyl-2-(trifluoromethyl)thiophene.

Molecular Properties

Compound Name2-bromo-6-tert-butylpyridine;4-bromo-2-tert-butylpyridine;2-tert-butyl-4-chloropyridine;2-tert-butyl-6-chloropyridine;2-tert-butyl-4-fluoropyridine;2-tert-butyl-6-fluoropyridine;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine;4-tert-butyl-2-(trifluoromethyl)pyridine;2-tert-butyl-4-(trifluoromethyl)thiophene;4-tert-butyl-2-(trifluoromethyl)thiophene
PubChem CID159948325
Molecular FormulaC102H130Br2Cl2F17N9S2
Molecular Weight2100.04 g/mol
Exact Mass2095.74
IUPAC Name2-bromo-6-tert-butylpyridine;4-bromo-2-tert-butylpyridine;2-tert-butyl-4-chloropyridine;2-tert-butyl-6-chloropyridine;2-tert-butyl-4-fluoropyridine;2-tert-butyl-6-fluoropyridine;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine;4-tert-butyl-2-(trifluoromethyl)pyridine;2-tert-butyl-4-(trifluoromethyl)thiophene;4-tert-butyl-2-(trifluoromethyl)thiophene
SMILESCC(C)(C)c1cc(Br)ccn1.CC(C)(C)c1cc(C(F)(F)F)ccn1.CC(C)(C)c1cc(C(F)(F)F)cs1.CC(C)(C)c1cc(Cl)ccn1.CC(C)(C)c1cc(F)ccn1.CC(C)(C)c1cccc(Br)n1.CC(C)(C)c1cccc(C(F)(F)F)n1.CC(C)(C)c1cccc(Cl)n1.CC(C)(C)c1cccc(F)n1.CC(C)(C)c1ccnc(C(F)(F)F)c1.CC(C)(C)c1csc(C(F)(F)F)c1
InChIInChI=1S/3C10H12F3N.2C9H12BrN.2C9H12ClN.2C9H11F3S.2C9H12FN/c1-9(2,3)8-6-7(4-5-14-8)10(11,12)13;1-9(2,3)7-4-5-14-8(6-7)10(11,12)13;1-9(2,3)7-5-4-6-8(14-7)10(11,12)13;1-9(2,3)8-6-7(10)4-5-11-8;1-9(2,3)7-5-4-6-8(10)11-7;1-9(2,3)8-6-7(10)4-5-11-8;1-9(2,3)7-5-4-6-8(10)11-7;1-8(2,3)7-4-6(5-13-7)9(10,11)12;1-8(2,3)6-4-7(13-5-6)9(10,11)12;1-9(2,3)8-6-7(10)4-5-11-8;1-9(2,3)7-5-4-6-8(10)11-7/h3*4-6H,1-3H3;4*4-6H,1-3H3;2*4-5H,1-3H3;2*4-6H,1-3H3
InChIKeyOBTWEQCTTADYAI-UHFFFAOYSA-N
XLogP35.71
TPSA116.01 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds
Heavy Atoms134
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002100.04
LogP ≤ 535.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 2-bromo-6-tert-butylpyridine;4-bromo-2-tert-butylpyridine;2-tert-butyl-4-chloropyridine;2-tert-butyl-6-chloropyridine;2-tert-butyl-4-fluoropyridine;2-tert-butyl-6-fluoropyridine;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine;4-tert-butyl-2-(trifluoromethyl)pyridine;2-tert-butyl-4-(trifluoromethyl)thiophene;4-tert-butyl-2-(trifluoromethyl)thiophene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-tert-butylpyridine;4-bromo-2-tert-butylpyridine;2-tert-butyl-4-chloropyridine;2-tert-butyl-6-chloropyridine;2-tert-butyl-4-fluoropyridine;2-tert-butyl-6-fluoropyridine;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine;4-tert-butyl-2-(trifluoromethyl)pyridine;2-tert-butyl-4-(trifluoromethyl)thiophene;4-tert-butyl-2-(trifluoromethyl)thiophene?
The IUPAC name of 2-bromo-6-tert-butylpyridine;4-bromo-2-tert-butylpyridine;2-tert-butyl-4-chloropyridine;2-tert-butyl-6-chloropyridine;2-tert-butyl-4-fluoropyridine;2-tert-butyl-6-fluoropyridine;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine;4-tert-butyl-2-(trifluoromethyl)pyridine;2-tert-butyl-4-(trifluoromethyl)thiophene;4-tert-butyl-2-(trifluoromethyl)thiophene (CID 159948325) is 2-bromo-6-tert-butylpyridine;4-bromo-2-tert-butylpyridine;2-tert-butyl-4-chloropyridine;2-tert-butyl-6-chloropyridine;2-tert-butyl-4-fluoropyridine;2-tert-butyl-6-fluoropyridine;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine;4-tert-butyl-2-(trifluoromethyl)pyridine;2-tert-butyl-4-(trifluoromethyl)thiophene;4-tert-butyl-2-(trifluoromethyl)thiophene.
What is the SMILES notation for 2-bromo-6-tert-butylpyridine;4-bromo-2-tert-butylpyridine;2-tert-butyl-4-chloropyridine;2-tert-butyl-6-chloropyridine;2-tert-butyl-4-fluoropyridine;2-tert-butyl-6-fluoropyridine;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine;4-tert-butyl-2-(trifluoromethyl)pyridine;2-tert-butyl-4-(trifluoromethyl)thiophene;4-tert-butyl-2-(trifluoromethyl)thiophene?
The canonical SMILES for 2-bromo-6-tert-butylpyridine;4-bromo-2-tert-butylpyridine;2-tert-butyl-4-chloropyridine;2-tert-butyl-6-chloropyridine;2-tert-butyl-4-fluoropyridine;2-tert-butyl-6-fluoropyridine;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine;4-tert-butyl-2-(trifluoromethyl)pyridine;2-tert-butyl-4-(trifluoromethyl)thiophene;4-tert-butyl-2-(trifluoromethyl)thiophene is CC(C)(C)c1cc(Br)ccn1.CC(C)(C)c1cc(C(F)(F)F)ccn1.CC(C)(C)c1cc(C(F)(F)F)cs1.CC(C)(C)c1cc(Cl)ccn1.CC(C)(C)c1cc(F)ccn1.CC(C)(C)c1cccc(Br)n1.CC(C)(C)c1cccc(C(F)(F)F)n1.CC(C)(C)c1cccc(Cl)n1.CC(C)(C)c1cccc(F)n1.CC(C)(C)c1ccnc(C(F)(F)F)c1.CC(C)(C)c1csc(C(F)(F)F)c1.
What is the InChIKey of 2-bromo-6-tert-butylpyridine;4-bromo-2-tert-butylpyridine;2-tert-butyl-4-chloropyridine;2-tert-butyl-6-chloropyridine;2-tert-butyl-4-fluoropyridine;2-tert-butyl-6-fluoropyridine;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine;4-tert-butyl-2-(trifluoromethyl)pyridine;2-tert-butyl-4-(trifluoromethyl)thiophene;4-tert-butyl-2-(trifluoromethyl)thiophene?
The InChIKey is OBTWEQCTTADYAI-UHFFFAOYSA-N. The full InChI is InChI=1S/3C10H12F3N.2C9H12BrN.2C9H12ClN.2C9H11F3S.2C9H12FN/c1-9(2,3)8-6-7(4-5-14-8)10(11,12)13;1-9(2,3)7-4-5-14-8(6-7)10(11,12)13;1-9(2,3)7-5-4-6-8(14-7)10(11,12)13;1-9(2,3)8-6-7(10)4-5-11-8;1-9(2,3)7-5-4-6-8(10)11-7;1-9(2,3)8-6-7(10)4-5-11-8;1-9(2,3)7-5-4-6-8(10)11-7;1-8(2,3)7-4-6(5-13-7)9(10,11)12;1-8(2,3)6-4-7(13-5-6)9(10,11)12;1-9(2,3)8-6-7(10)4-5-11-8;1-9(2,3)7-5-4-6-8(10)11-7/h3*4-6H,1-3H3;4*4-6H,1-3H3;2*4-5H,1-3H3;2*4-6H,1-3H3.
What are the key properties of 2-bromo-6-tert-butylpyridine;4-bromo-2-tert-butylpyridine;2-tert-butyl-4-chloropyridine;2-tert-butyl-6-chloropyridine;2-tert-butyl-4-fluoropyridine;2-tert-butyl-6-fluoropyridine;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine;4-tert-butyl-2-(trifluoromethyl)pyridine;2-tert-butyl-4-(trifluoromethyl)thiophene;4-tert-butyl-2-(trifluoromethyl)thiophene?
2-bromo-6-tert-butylpyridine;4-bromo-2-tert-butylpyridine;2-tert-butyl-4-chloropyridine;2-tert-butyl-6-chloropyridine;2-tert-butyl-4-fluoropyridine;2-tert-butyl-6-fluoropyridine;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine;4-tert-butyl-2-(trifluoromethyl)pyridine;2-tert-butyl-4-(trifluoromethyl)thiophene;4-tert-butyl-2-(trifluoromethyl)thiophene has a molecular weight of 2100.04 g/mol, XLogP of 35.71, 0 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-tert-butylpyridine;4-bromo-2-tert-butylpyridine;2-tert-butyl-4-chloropyridine;2-tert-butyl-6-chloropyridine;2-tert-butyl-4-fluoropyridine;2-tert-butyl-6-fluoropyridine;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine;4-tert-butyl-2-(trifluoromethyl)pyridine;2-tert-butyl-4-(trifluoromethyl)thiophene;4-tert-butyl-2-(trifluoromethyl)thiophene is sourced from PubChem (CID 159948325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).