3-bromo-5-tert-butyl-2-chloropyridine;5-bromo-2-tert-butylpyridine;2-tert-butyl-5-fluoropyridine;2-tert-butyl-4-methoxypyridine;2-tert-butyl-5-methoxypyridine;2-tert-butyl-6-methoxypyridine;3-tert-butyl-2-methoxypyridine;3-tert-butyl-5-methoxypyridine;5-tert-butyl-2-methoxypyridine;3-tert-butyl-5-methylpyridine;6-tert-butyl-N-methylpyridine-3-carboxamide;2-tert-butyl-5-(methylsulfonylmethyl)pyridine;2-tert-butylpyridine;6-tert-butylpyridine-3-carbonitrile;6-tert-butylpyridine-3-carboxamide;(3-tert-butyl-4-pyridinyl)methanol;2-[(6-tert-butyl-3-pyridinyl)oxy]acetic acid

C169H242Br2ClFN20O14S — CID 162017198

IUPAC3-bromo-5-tert-butyl-2-chloropyridine;5-bromo-2-tert-butylpyridine;2-tert-butyl-5-fluoropyridine;2-tert-butyl-4-methoxypyridine;2-tert-butyl-5-methoxypyridine;2-tert-butyl-6-methoxypyridine;3-tert-butyl-2-methoxypyridine;3-tert-butyl-5-methoxypyridine;5-tert-butyl-2-methoxypyridine;3-tert-butyl-5-methylpyridine;6-tert-butyl-N-methylpyridine-3-carboxamide;2-tert-butyl-5-(methylsulfonylmethyl)pyridine;2-tert-butylpyridine;6-tert-butylpyridine-3-carbonitrile;6-tert-butylpyridine-3-carboxamide;(3-tert-butyl-4-pyridinyl)methanol;2-[(6-tert-butyl-3-pyridinyl)oxy]acetic acid
SMILESCC(C)(C)c1ccc(Br)cn1.CC(C)(C)c1ccc(C#N)cn1.CC(C)(C)c1ccc(C(N)=O)cn1.CC(C)(C)c1ccc(CS(C)(=O)=O)cn1.CC(C)(C)c1ccc(F)cn1.CC(C)(C)c1ccc(OCC(=O)O)cn1.CC(C)(C)c1ccccn1.CC(C)(C)c1cnc(Cl)c(Br)c1.CC(C)(C)c1cnccc1CO.CNC(=O)c1ccc(C(C)(C)C)nc1.COc1ccc(C(C)(C)C)cn1.COc1ccc(C(C)(C)C)nc1.COc1cccc(C(C)(C)C)n1.COc1ccnc(C(C)(C)C)c1.COc1cncc(C(C)(C)C)c1.COc1ncccc1C(C)(C)C.Cc1cncc(C(C)(C)C)c1
InChIInChI=1S/C11H16N2O.C11H15NO3.C11H17NO2S.C10H14N2O.C10H12N2.7C10H15NO.C10H15N.C9H11BrClN.C9H12BrN.C9H12FN.C9H13N/c1-11(2,3)9-6-5-8(7-13-9)10(14)12-4;1-11(2,3)9-5-4-8(6-12-9)15-7-10(13)14;1-11(2,3)10-6-5-9(7-12-10)8-15(4,13)14;1-10(2,3)8-5-4-7(6-12-8)9(11)13;1-10(2,3)9-5-4-8(6-11)7-12-9;1-10(2,3)8-5-9(12-4)7-11-6-8;1-10(2,3)9-7-8(12-4)5-6-11-9;1-10(2,3)9-6-5-8(12-4)7-11-9;1-10(2,3)8-5-6-9(12-4)11-7-8;1-10(2,3)8-6-5-7-11-9(8)12-4;1-10(2,3)8-6-5-7-9(11-8)12-4;1-10(2,3)9-6-11-5-4-8(9)7-12;1-8-5-9(7-11-6-8)10(2,3)4;1-9(2,3)6-4-7(10)8(11)12-5-6;2*1-9(2,3)8-5-4-7(10)6-11-8;1-9(2,3)8-6-4-5-7-10-8/h5-7H,1-4H3,(H,12,14);4-6H,7H2,1-3H3,(H,13,14);5-7H,8H2,1-4H3;4-6H,1-3H3,(H2,11,13);4-5,7H,1-3H3;6*5-7H,1-4H3;4-6,12H,7H2,1-3H3;5-7H,1-4H3;4-5H,1-3H3;2*4-6H,1-3H3;4-7H,1-3H3
InChIKeyYUGNGDDUZFLMQT-UHFFFAOYSA-N
MW3024.25 g/mol
LogP39.95
Rot. Bonds14

About 3-bromo-5-tert-butyl-2-chloropyridine;5-bromo-2-tert-butylpyridine;2-tert-butyl-5-fluoropyridine;2-tert-butyl-4-methoxypyridine;2-tert-butyl-5-methoxypyridine;2-tert-butyl-6-methoxypyridine;3-tert-butyl-2-methoxypyridine;3-tert-butyl-5-methoxypyridine;5-tert-butyl-2-methoxypyridine;3-tert-butyl-5-methylpyridine;6-tert-butyl-N-methylpyridine-3-carboxamide;2-tert-butyl-5-(methylsulfonylmethyl)pyridine;2-tert-butylpyridine;6-tert-butylpyridine-3-carbonitrile;6-tert-butylpyridine-3-carboxamide;(3-tert-butyl-4-pyridinyl)methanol;2-[(6-tert-butyl-3-pyridinyl)oxy]acetic acid

3-bromo-5-tert-butyl-2-chloropyridine;5-bromo-2-tert-butylpyridine;2-tert-butyl-5-fluoropyridine;2-tert-butyl-4-methoxypyridine;2-tert-butyl-5-methoxypyridine;2-tert-butyl-6-methoxypyridine;3-tert-butyl-2-methoxypyridine;3-tert-butyl-5-methoxypyridine;5-tert-butyl-2-methoxypyridine;3-tert-butyl-5-methylpyridine;6-tert-butyl-N-methylpyridine-3-carboxamide;2-tert-butyl-5-(methylsulfonylmethyl)pyridine;2-tert-butylpyridine;6-tert-butylpyridine-3-carbonitrile;6-tert-butylpyridine-3-carboxamide;(3-tert-butyl-4-pyridinyl)methanol;2-[(6-tert-butyl-3-pyridinyl)oxy]acetic acid (PubChem CID 162017198) has the molecular formula C169H242Br2ClFN20O14S and a molecular weight of 3024.25 g/mol. Its IUPAC name is 3-bromo-5-tert-butyl-2-chloropyridine;5-bromo-2-tert-butylpyridine;2-tert-butyl-5-fluoropyridine;2-tert-butyl-4-methoxypyridine;2-tert-butyl-5-methoxypyridine;2-tert-butyl-6-methoxypyridine;3-tert-butyl-2-methoxypyridine;3-tert-butyl-5-methoxypyridine;5-tert-butyl-2-methoxypyridine;3-tert-butyl-5-methylpyridine;6-tert-butyl-N-methylpyridine-3-carboxamide;2-tert-butyl-5-(methylsulfonylmethyl)pyridine;2-tert-butylpyridine;6-tert-butylpyridine-3-carbonitrile;6-tert-butylpyridine-3-carboxamide;(3-tert-butyl-4-pyridinyl)methanol;2-[(6-tert-butyl-3-pyridinyl)oxy]acetic acid.

Molecular Properties

Compound Name3-bromo-5-tert-butyl-2-chloropyridine;5-bromo-2-tert-butylpyridine;2-tert-butyl-5-fluoropyridine;2-tert-butyl-4-methoxypyridine;2-tert-butyl-5-methoxypyridine;2-tert-butyl-6-methoxypyridine;3-tert-butyl-2-methoxypyridine;3-tert-butyl-5-methoxypyridine;5-tert-butyl-2-methoxypyridine;3-tert-butyl-5-methylpyridine;6-tert-butyl-N-methylpyridine-3-carboxamide;2-tert-butyl-5-(methylsulfonylmethyl)pyridine;2-tert-butylpyridine;6-tert-butylpyridine-3-carbonitrile;6-tert-butylpyridine-3-carboxamide;(3-tert-butyl-4-pyridinyl)methanol;2-[(6-tert-butyl-3-pyridinyl)oxy]acetic acid
PubChem CID162017198
Molecular FormulaC169H242Br2ClFN20O14S
Molecular Weight3024.25 g/mol
Exact Mass3019.66
IUPAC Name3-bromo-5-tert-butyl-2-chloropyridine;5-bromo-2-tert-butylpyridine;2-tert-butyl-5-fluoropyridine;2-tert-butyl-4-methoxypyridine;2-tert-butyl-5-methoxypyridine;2-tert-butyl-6-methoxypyridine;3-tert-butyl-2-methoxypyridine;3-tert-butyl-5-methoxypyridine;5-tert-butyl-2-methoxypyridine;3-tert-butyl-5-methylpyridine;6-tert-butyl-N-methylpyridine-3-carboxamide;2-tert-butyl-5-(methylsulfonylmethyl)pyridine;2-tert-butylpyridine;6-tert-butylpyridine-3-carbonitrile;6-tert-butylpyridine-3-carboxamide;(3-tert-butyl-4-pyridinyl)methanol;2-[(6-tert-butyl-3-pyridinyl)oxy]acetic acid
SMILESCC(C)(C)c1ccc(Br)cn1.CC(C)(C)c1ccc(C#N)cn1.CC(C)(C)c1ccc(C(N)=O)cn1.CC(C)(C)c1ccc(CS(C)(=O)=O)cn1.CC(C)(C)c1ccc(F)cn1.CC(C)(C)c1ccc(OCC(=O)O)cn1.CC(C)(C)c1ccccn1.CC(C)(C)c1cnc(Cl)c(Br)c1.CC(C)(C)c1cnccc1CO.CNC(=O)c1ccc(C(C)(C)C)nc1.COc1ccc(C(C)(C)C)cn1.COc1ccc(C(C)(C)C)nc1.COc1cccc(C(C)(C)C)n1.COc1ccnc(C(C)(C)C)c1.COc1cncc(C(C)(C)C)c1.COc1ncccc1C(C)(C)C.Cc1cncc(C(C)(C)C)c1
InChIInChI=1S/C11H16N2O.C11H15NO3.C11H17NO2S.C10H14N2O.C10H12N2.7C10H15NO.C10H15N.C9H11BrClN.C9H12BrN.C9H12FN.C9H13N/c1-11(2,3)9-6-5-8(7-13-9)10(14)12-4;1-11(2,3)9-5-4-8(6-12-9)15-7-10(13)14;1-11(2,3)10-6-5-9(7-12-10)8-15(4,13)14;1-10(2,3)8-5-4-7(6-12-8)9(11)13;1-10(2,3)9-5-4-8(6-11)7-12-9;1-10(2,3)8-5-9(12-4)7-11-6-8;1-10(2,3)9-7-8(12-4)5-6-11-9;1-10(2,3)9-6-5-8(12-4)7-11-9;1-10(2,3)8-5-6-9(12-4)11-7-8;1-10(2,3)8-6-5-7-11-9(8)12-4;1-10(2,3)8-6-5-7-9(11-8)12-4;1-10(2,3)9-6-11-5-4-8(9)7-12;1-8-5-9(7-11-6-8)10(2,3)4;1-9(2,3)6-4-7(10)8(11)12-5-6;2*1-9(2,3)8-5-4-7(10)6-11-8;1-9(2,3)8-6-4-5-7-10-8/h5-7H,1-4H3,(H,12,14);4-6H,7H2,1-3H3,(H,13,14);5-7H,8H2,1-4H3;4-6H,1-3H3,(H2,11,13);4-5,7H,1-3H3;6*5-7H,1-4H3;4-6,12H,7H2,1-3H3;5-7H,1-4H3;4-5H,1-3H3;2*4-6H,1-3H3;4-7H,1-3H3
InChIKeyYUGNGDDUZFLMQT-UHFFFAOYSA-N
XLogP39.95
TPSA471.39 Ų
H-Bond Donors4
H-Bond Acceptors31
Rotatable Bonds14
Heavy Atoms208
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003024.25
LogP ≤ 539.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

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

Analyze 3-bromo-5-tert-butyl-2-chloropyridine;5-bromo-2-tert-butylpyridine;2-tert-butyl-5-fluoropyridine;2-tert-butyl-4-methoxypyridine;2-tert-butyl-5-methoxypyridine;2-tert-butyl-6-methoxypyridine;3-tert-butyl-2-methoxypyridine;3-tert-butyl-5-methoxypyridine;5-tert-butyl-2-methoxypyridine;3-tert-butyl-5-methylpyridine;6-tert-butyl-N-methylpyridine-3-carboxamide;2-tert-butyl-5-(methylsulfonylmethyl)pyridine;2-tert-butylpyridine;6-tert-butylpyridine-3-carbonitrile;6-tert-butylpyridine-3-carboxamide;(3-tert-butyl-4-pyridinyl)methanol;2-[(6-tert-butyl-3-pyridinyl)oxy]acetic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-tert-butyl-2-chloropyridine;5-bromo-2-tert-butylpyridine;2-tert-butyl-5-fluoropyridine;2-tert-butyl-4-methoxypyridine;2-tert-butyl-5-methoxypyridine;2-tert-butyl-6-methoxypyridine;3-tert-butyl-2-methoxypyridine;3-tert-butyl-5-methoxypyridine;5-tert-butyl-2-methoxypyridine;3-tert-butyl-5-methylpyridine;6-tert-butyl-N-methylpyridine-3-carboxamide;2-tert-butyl-5-(methylsulfonylmethyl)pyridine;2-tert-butylpyridine;6-tert-butylpyridine-3-carbonitrile;6-tert-butylpyridine-3-carboxamide;(3-tert-butyl-4-pyridinyl)methanol;2-[(6-tert-butyl-3-pyridinyl)oxy]acetic acid?
The IUPAC name of 3-bromo-5-tert-butyl-2-chloropyridine;5-bromo-2-tert-butylpyridine;2-tert-butyl-5-fluoropyridine;2-tert-butyl-4-methoxypyridine;2-tert-butyl-5-methoxypyridine;2-tert-butyl-6-methoxypyridine;3-tert-butyl-2-methoxypyridine;3-tert-butyl-5-methoxypyridine;5-tert-butyl-2-methoxypyridine;3-tert-butyl-5-methylpyridine;6-tert-butyl-N-methylpyridine-3-carboxamide;2-tert-butyl-5-(methylsulfonylmethyl)pyridine;2-tert-butylpyridine;6-tert-butylpyridine-3-carbonitrile;6-tert-butylpyridine-3-carboxamide;(3-tert-butyl-4-pyridinyl)methanol;2-[(6-tert-butyl-3-pyridinyl)oxy]acetic acid (CID 162017198) is 3-bromo-5-tert-butyl-2-chloropyridine;5-bromo-2-tert-butylpyridine;2-tert-butyl-5-fluoropyridine;2-tert-butyl-4-methoxypyridine;2-tert-butyl-5-methoxypyridine;2-tert-butyl-6-methoxypyridine;3-tert-butyl-2-methoxypyridine;3-tert-butyl-5-methoxypyridine;5-tert-butyl-2-methoxypyridine;3-tert-butyl-5-methylpyridine;6-tert-butyl-N-methylpyridine-3-carboxamide;2-tert-butyl-5-(methylsulfonylmethyl)pyridine;2-tert-butylpyridine;6-tert-butylpyridine-3-carbonitrile;6-tert-butylpyridine-3-carboxamide;(3-tert-butyl-4-pyridinyl)methanol;2-[(6-tert-butyl-3-pyridinyl)oxy]acetic acid.
What is the SMILES notation for 3-bromo-5-tert-butyl-2-chloropyridine;5-bromo-2-tert-butylpyridine;2-tert-butyl-5-fluoropyridine;2-tert-butyl-4-methoxypyridine;2-tert-butyl-5-methoxypyridine;2-tert-butyl-6-methoxypyridine;3-tert-butyl-2-methoxypyridine;3-tert-butyl-5-methoxypyridine;5-tert-butyl-2-methoxypyridine;3-tert-butyl-5-methylpyridine;6-tert-butyl-N-methylpyridine-3-carboxamide;2-tert-butyl-5-(methylsulfonylmethyl)pyridine;2-tert-butylpyridine;6-tert-butylpyridine-3-carbonitrile;6-tert-butylpyridine-3-carboxamide;(3-tert-butyl-4-pyridinyl)methanol;2-[(6-tert-butyl-3-pyridinyl)oxy]acetic acid?
The canonical SMILES for 3-bromo-5-tert-butyl-2-chloropyridine;5-bromo-2-tert-butylpyridine;2-tert-butyl-5-fluoropyridine;2-tert-butyl-4-methoxypyridine;2-tert-butyl-5-methoxypyridine;2-tert-butyl-6-methoxypyridine;3-tert-butyl-2-methoxypyridine;3-tert-butyl-5-methoxypyridine;5-tert-butyl-2-methoxypyridine;3-tert-butyl-5-methylpyridine;6-tert-butyl-N-methylpyridine-3-carboxamide;2-tert-butyl-5-(methylsulfonylmethyl)pyridine;2-tert-butylpyridine;6-tert-butylpyridine-3-carbonitrile;6-tert-butylpyridine-3-carboxamide;(3-tert-butyl-4-pyridinyl)methanol;2-[(6-tert-butyl-3-pyridinyl)oxy]acetic acid is CC(C)(C)c1ccc(Br)cn1.CC(C)(C)c1ccc(C#N)cn1.CC(C)(C)c1ccc(C(N)=O)cn1.CC(C)(C)c1ccc(CS(C)(=O)=O)cn1.CC(C)(C)c1ccc(F)cn1.CC(C)(C)c1ccc(OCC(=O)O)cn1.CC(C)(C)c1ccccn1.CC(C)(C)c1cnc(Cl)c(Br)c1.CC(C)(C)c1cnccc1CO.CNC(=O)c1ccc(C(C)(C)C)nc1.COc1ccc(C(C)(C)C)cn1.COc1ccc(C(C)(C)C)nc1.COc1cccc(C(C)(C)C)n1.COc1ccnc(C(C)(C)C)c1.COc1cncc(C(C)(C)C)c1.COc1ncccc1C(C)(C)C.Cc1cncc(C(C)(C)C)c1.
What is the InChIKey of 3-bromo-5-tert-butyl-2-chloropyridine;5-bromo-2-tert-butylpyridine;2-tert-butyl-5-fluoropyridine;2-tert-butyl-4-methoxypyridine;2-tert-butyl-5-methoxypyridine;2-tert-butyl-6-methoxypyridine;3-tert-butyl-2-methoxypyridine;3-tert-butyl-5-methoxypyridine;5-tert-butyl-2-methoxypyridine;3-tert-butyl-5-methylpyridine;6-tert-butyl-N-methylpyridine-3-carboxamide;2-tert-butyl-5-(methylsulfonylmethyl)pyridine;2-tert-butylpyridine;6-tert-butylpyridine-3-carbonitrile;6-tert-butylpyridine-3-carboxamide;(3-tert-butyl-4-pyridinyl)methanol;2-[(6-tert-butyl-3-pyridinyl)oxy]acetic acid?
The InChIKey is YUGNGDDUZFLMQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O.C11H15NO3.C11H17NO2S.C10H14N2O.C10H12N2.7C10H15NO.C10H15N.C9H11BrClN.C9H12BrN.C9H12FN.C9H13N/c1-11(2,3)9-6-5-8(7-13-9)10(14)12-4;1-11(2,3)9-5-4-8(6-12-9)15-7-10(13)14;1-11(2,3)10-6-5-9(7-12-10)8-15(4,13)14;1-10(2,3)8-5-4-7(6-12-8)9(11)13;1-10(2,3)9-5-4-8(6-11)7-12-9;1-10(2,3)8-5-9(12-4)7-11-6-8;1-10(2,3)9-7-8(12-4)5-6-11-9;1-10(2,3)9-6-5-8(12-4)7-11-9;1-10(2,3)8-5-6-9(12-4)11-7-8;1-10(2,3)8-6-5-7-11-9(8)12-4;1-10(2,3)8-6-5-7-9(11-8)12-4;1-10(2,3)9-6-11-5-4-8(9)7-12;1-8-5-9(7-11-6-8)10(2,3)4;1-9(2,3)6-4-7(10)8(11)12-5-6;2*1-9(2,3)8-5-4-7(10)6-11-8;1-9(2,3)8-6-4-5-7-10-8/h5-7H,1-4H3,(H,12,14);4-6H,7H2,1-3H3,(H,13,14);5-7H,8H2,1-4H3;4-6H,1-3H3,(H2,11,13);4-5,7H,1-3H3;6*5-7H,1-4H3;4-6,12H,7H2,1-3H3;5-7H,1-4H3;4-5H,1-3H3;2*4-6H,1-3H3;4-7H,1-3H3.
What are the key properties of 3-bromo-5-tert-butyl-2-chloropyridine;5-bromo-2-tert-butylpyridine;2-tert-butyl-5-fluoropyridine;2-tert-butyl-4-methoxypyridine;2-tert-butyl-5-methoxypyridine;2-tert-butyl-6-methoxypyridine;3-tert-butyl-2-methoxypyridine;3-tert-butyl-5-methoxypyridine;5-tert-butyl-2-methoxypyridine;3-tert-butyl-5-methylpyridine;6-tert-butyl-N-methylpyridine-3-carboxamide;2-tert-butyl-5-(methylsulfonylmethyl)pyridine;2-tert-butylpyridine;6-tert-butylpyridine-3-carbonitrile;6-tert-butylpyridine-3-carboxamide;(3-tert-butyl-4-pyridinyl)methanol;2-[(6-tert-butyl-3-pyridinyl)oxy]acetic acid?
3-bromo-5-tert-butyl-2-chloropyridine;5-bromo-2-tert-butylpyridine;2-tert-butyl-5-fluoropyridine;2-tert-butyl-4-methoxypyridine;2-tert-butyl-5-methoxypyridine;2-tert-butyl-6-methoxypyridine;3-tert-butyl-2-methoxypyridine;3-tert-butyl-5-methoxypyridine;5-tert-butyl-2-methoxypyridine;3-tert-butyl-5-methylpyridine;6-tert-butyl-N-methylpyridine-3-carboxamide;2-tert-butyl-5-(methylsulfonylmethyl)pyridine;2-tert-butylpyridine;6-tert-butylpyridine-3-carbonitrile;6-tert-butylpyridine-3-carboxamide;(3-tert-butyl-4-pyridinyl)methanol;2-[(6-tert-butyl-3-pyridinyl)oxy]acetic acid has a molecular weight of 3024.25 g/mol, XLogP of 39.95, 14 rotatable bonds, 4 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-tert-butyl-2-chloropyridine;5-bromo-2-tert-butylpyridine;2-tert-butyl-5-fluoropyridine;2-tert-butyl-4-methoxypyridine;2-tert-butyl-5-methoxypyridine;2-tert-butyl-6-methoxypyridine;3-tert-butyl-2-methoxypyridine;3-tert-butyl-5-methoxypyridine;5-tert-butyl-2-methoxypyridine;3-tert-butyl-5-methylpyridine;6-tert-butyl-N-methylpyridine-3-carboxamide;2-tert-butyl-5-(methylsulfonylmethyl)pyridine;2-tert-butylpyridine;6-tert-butylpyridine-3-carbonitrile;6-tert-butylpyridine-3-carboxamide;(3-tert-butyl-4-pyridinyl)methanol;2-[(6-tert-butyl-3-pyridinyl)oxy]acetic acid is sourced from PubChem (CID 162017198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).