2-tert-butyl-3-fluoropyridine;2-tert-butyl-5-methylpyridine;2-tert-butylpyridine;2-tert-butylpyrimidine;5-tert-butyl-3H-pyrrole;2-tert-butyl-1,3-thiazole

C51H76FN7S — CID 161192099

IUPAC2-tert-butyl-3-fluoropyridine;2-tert-butyl-5-methylpyridine;2-tert-butylpyridine;2-tert-butylpyrimidine;5-tert-butyl-3H-pyrrole;2-tert-butyl-1,3-thiazole
SMILESCC(C)(C)C1=CCC=N1.CC(C)(C)c1ccccn1.CC(C)(C)c1ncccc1F.CC(C)(C)c1ncccn1.CC(C)(C)c1nccs1.Cc1ccc(C(C)(C)C)nc1
InChIInChI=1S/C10H15N.C9H12FN.C9H13N.C8H12N2.C8H13N.C7H11NS/c1-8-5-6-9(11-7-8)10(2,3)4;1-9(2,3)8-7(10)5-4-6-11-8;1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)7-9-5-4-6-10-7;1-8(2,3)7-5-4-6-9-7;1-7(2,3)6-8-4-5-9-6/h5-7H,1-4H3;4-6H,1-3H3;4-7H,1-3H3;4-6H,1-3H3;5-6H,4H2,1-3H3;4-5H,1-3H3
InChIKeyUTVWRNWSPBKYJH-UHFFFAOYSA-N
MW838.28 g/mol
LogP14.19
Rot. Bonds

About 2-tert-butyl-3-fluoropyridine;2-tert-butyl-5-methylpyridine;2-tert-butylpyridine;2-tert-butylpyrimidine;5-tert-butyl-3H-pyrrole;2-tert-butyl-1,3-thiazole

2-tert-butyl-3-fluoropyridine;2-tert-butyl-5-methylpyridine;2-tert-butylpyridine;2-tert-butylpyrimidine;5-tert-butyl-3H-pyrrole;2-tert-butyl-1,3-thiazole (PubChem CID 161192099) has the molecular formula C51H76FN7S and a molecular weight of 838.28 g/mol. Its IUPAC name is 2-tert-butyl-3-fluoropyridine;2-tert-butyl-5-methylpyridine;2-tert-butylpyridine;2-tert-butylpyrimidine;5-tert-butyl-3H-pyrrole;2-tert-butyl-1,3-thiazole.

Molecular Properties

Compound Name2-tert-butyl-3-fluoropyridine;2-tert-butyl-5-methylpyridine;2-tert-butylpyridine;2-tert-butylpyrimidine;5-tert-butyl-3H-pyrrole;2-tert-butyl-1,3-thiazole
PubChem CID161192099
Molecular FormulaC51H76FN7S
Molecular Weight838.28 g/mol
Exact Mass837.59
IUPAC Name2-tert-butyl-3-fluoropyridine;2-tert-butyl-5-methylpyridine;2-tert-butylpyridine;2-tert-butylpyrimidine;5-tert-butyl-3H-pyrrole;2-tert-butyl-1,3-thiazole
SMILESCC(C)(C)C1=CCC=N1.CC(C)(C)c1ccccn1.CC(C)(C)c1ncccc1F.CC(C)(C)c1ncccn1.CC(C)(C)c1nccs1.Cc1ccc(C(C)(C)C)nc1
InChIInChI=1S/C10H15N.C9H12FN.C9H13N.C8H12N2.C8H13N.C7H11NS/c1-8-5-6-9(11-7-8)10(2,3)4;1-9(2,3)8-7(10)5-4-6-11-8;1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)7-9-5-4-6-10-7;1-8(2,3)7-5-4-6-9-7;1-7(2,3)6-8-4-5-9-6/h5-7H,1-4H3;4-6H,1-3H3;4-7H,1-3H3;4-6H,1-3H3;5-6H,4H2,1-3H3;4-5H,1-3H3
InChIKeyUTVWRNWSPBKYJH-UHFFFAOYSA-N
XLogP14.19
TPSA89.70 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500838.28
LogP ≤ 514.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-tert-butyl-3-fluoropyridine;2-tert-butyl-5-methylpyridine;2-tert-butylpyridine;2-tert-butylpyrimidine;5-tert-butyl-3H-pyrrole;2-tert-butyl-1,3-thiazole with MolForge

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Launch Full Analysis

Related Compounds

2-(1,4''-Bipiperidin-1''-yl)-6-(2-fluoropyridin-4-yl)thiazolo[4,5-b]pyridine
CID 45482685
2-(1,4''-Bipiperidin-1''-yl)-6-(2-fluoropyridin-3-yl)thiazolo[4,5-b]pyridine
CID 45482686
2-(1,4''-Bipiperidin-1''-yl)-6-(6-methylpyridin-3-yl)thiazolo[4,5-b]pyridine
CID 45482687
2-(1,4''-Bipiperidin-1''-yl)-6-(6-fluoropyridin-3-yl)thiazolo[4,5-b]pyridine
CID 45482783
5-(6-(2-Fluorophenyl)-2-(pyridin-2-yl)pyrimidin-4-yl)-n-propylthiazol-2-amine
CID 52949868
5-(6-(4-fluorophenyl)-2-(pyridin-2-yl)pyrimidin-4-yl)-N-propylthiazol-2-amine
CID 52941640
N,N-dimethyl-2-[4-[2-pyridin-2-yl-6-(thiophen-3-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanamine
CID 127041886
4-[4-(4-Fluorophenyl)-2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyrimidin-2-amine
CID 145979057
4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]-N-(2-methylpyrimidin-4-yl)pyrimidin-2-amine
CID 155513140
N,N-bis(pyridin-2-ylmethyl)-6-thiophen-3-yl-2-(trifluoromethyl)pyrimidin-4-amine
CID 155514726
4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]-N-pyridin-2-ylpyrimidin-2-amine
CID 155518294
N-(4-ethyl-5-fluoro-6-methyl-2-pyridinyl)-4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-amine
CID 155521054

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-3-fluoropyridine;2-tert-butyl-5-methylpyridine;2-tert-butylpyridine;2-tert-butylpyrimidine;5-tert-butyl-3H-pyrrole;2-tert-butyl-1,3-thiazole?
The IUPAC name of 2-tert-butyl-3-fluoropyridine;2-tert-butyl-5-methylpyridine;2-tert-butylpyridine;2-tert-butylpyrimidine;5-tert-butyl-3H-pyrrole;2-tert-butyl-1,3-thiazole (CID 161192099) is 2-tert-butyl-3-fluoropyridine;2-tert-butyl-5-methylpyridine;2-tert-butylpyridine;2-tert-butylpyrimidine;5-tert-butyl-3H-pyrrole;2-tert-butyl-1,3-thiazole.
What is the SMILES notation for 2-tert-butyl-3-fluoropyridine;2-tert-butyl-5-methylpyridine;2-tert-butylpyridine;2-tert-butylpyrimidine;5-tert-butyl-3H-pyrrole;2-tert-butyl-1,3-thiazole?
The canonical SMILES for 2-tert-butyl-3-fluoropyridine;2-tert-butyl-5-methylpyridine;2-tert-butylpyridine;2-tert-butylpyrimidine;5-tert-butyl-3H-pyrrole;2-tert-butyl-1,3-thiazole is CC(C)(C)C1=CCC=N1.CC(C)(C)c1ccccn1.CC(C)(C)c1ncccc1F.CC(C)(C)c1ncccn1.CC(C)(C)c1nccs1.Cc1ccc(C(C)(C)C)nc1.
What is the InChIKey of 2-tert-butyl-3-fluoropyridine;2-tert-butyl-5-methylpyridine;2-tert-butylpyridine;2-tert-butylpyrimidine;5-tert-butyl-3H-pyrrole;2-tert-butyl-1,3-thiazole?
The InChIKey is UTVWRNWSPBKYJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N.C9H12FN.C9H13N.C8H12N2.C8H13N.C7H11NS/c1-8-5-6-9(11-7-8)10(2,3)4;1-9(2,3)8-7(10)5-4-6-11-8;1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)7-9-5-4-6-10-7;1-8(2,3)7-5-4-6-9-7;1-7(2,3)6-8-4-5-9-6/h5-7H,1-4H3;4-6H,1-3H3;4-7H,1-3H3;4-6H,1-3H3;5-6H,4H2,1-3H3;4-5H,1-3H3.
What are the key properties of 2-tert-butyl-3-fluoropyridine;2-tert-butyl-5-methylpyridine;2-tert-butylpyridine;2-tert-butylpyrimidine;5-tert-butyl-3H-pyrrole;2-tert-butyl-1,3-thiazole?
2-tert-butyl-3-fluoropyridine;2-tert-butyl-5-methylpyridine;2-tert-butylpyridine;2-tert-butylpyrimidine;5-tert-butyl-3H-pyrrole;2-tert-butyl-1,3-thiazole has a molecular weight of 838.28 g/mol, XLogP of 14.19, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-3-fluoropyridine;2-tert-butyl-5-methylpyridine;2-tert-butylpyridine;2-tert-butylpyrimidine;5-tert-butyl-3H-pyrrole;2-tert-butyl-1,3-thiazole is sourced from PubChem (CID 161192099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).