bis(5-tert-butyl-3-chloropyridin-2-amine);bis(6-tert-butyl-3-chloropyridin-2-amine);3-tert-butyl-2-chlorothiophene;4-tert-butyl-2-chlorothiophene;bis(5-tert-butylpyridin-2-amine);bis(6-tert-butylpyridin-2-amine);bis(2-tert-butylpyridine);bis(3-tert-butylpyridine);bis(4-tert-butylpyridine)

C142H208Cl6N22S2 — CID 158975687

IUPACbis(5-tert-butyl-3-chloropyridin-2-amine);bis(6-tert-butyl-3-chloropyridin-2-amine);3-tert-butyl-2-chlorothiophene;4-tert-butyl-2-chlorothiophene;bis(5-tert-butylpyridin-2-amine);bis(6-tert-butylpyridin-2-amine);bis(2-tert-butylpyridine);bis(3-tert-butylpyridine);bis(4-tert-butylpyridine)
SMILESCC(C)(C)c1ccc(Cl)c(N)n1.CC(C)(C)c1ccc(Cl)c(N)n1.CC(C)(C)c1ccc(N)nc1.CC(C)(C)c1ccc(N)nc1.CC(C)(C)c1cccc(N)n1.CC(C)(C)c1cccc(N)n1.CC(C)(C)c1ccccn1.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC(C)(C)c1cccnc1.CC(C)(C)c1ccncc1.CC(C)(C)c1ccncc1.CC(C)(C)c1ccsc1Cl.CC(C)(C)c1cnc(N)c(Cl)c1.CC(C)(C)c1cnc(N)c(Cl)c1.CC(C)(C)c1csc(Cl)c1
InChIInChI=1S/4C9H13ClN2.4C9H14N2.6C9H13N.2C8H11ClS/c2*1-9(2,3)6-4-7(10)8(11)12-5-6;2*1-9(2,3)7-5-4-6(10)8(11)12-7;2*1-9(2,3)7-4-5-8(10)11-6-7;2*1-9(2,3)7-5-4-6-8(10)11-7;2*1-9(2,3)8-4-6-10-7-5-8;2*1-9(2,3)8-5-4-6-10-7-8;2*1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)6-4-7(9)10-5-6;1-8(2,3)6-4-5-10-7(6)9/h4*4-5H,1-3H3,(H2,11,12);4*4-6H,1-3H3,(H2,10,11);6*4-7H,1-3H3;2*4-5H,1-3H3
InChIKeyJOJCWMKGMIZEEN-UHFFFAOYSA-N
MW2500.23 g/mol
LogP39.98
Rot. Bonds

About bis(5-tert-butyl-3-chloropyridin-2-amine);bis(6-tert-butyl-3-chloropyridin-2-amine);3-tert-butyl-2-chlorothiophene;4-tert-butyl-2-chlorothiophene;bis(5-tert-butylpyridin-2-amine);bis(6-tert-butylpyridin-2-amine);bis(2-tert-butylpyridine);bis(3-tert-butylpyridine);bis(4-tert-butylpyridine)

bis(5-tert-butyl-3-chloropyridin-2-amine);bis(6-tert-butyl-3-chloropyridin-2-amine);3-tert-butyl-2-chlorothiophene;4-tert-butyl-2-chlorothiophene;bis(5-tert-butylpyridin-2-amine);bis(6-tert-butylpyridin-2-amine);bis(2-tert-butylpyridine);bis(3-tert-butylpyridine);bis(4-tert-butylpyridine) (PubChem CID 158975687) has the molecular formula C142H208Cl6N22S2 and a molecular weight of 2500.23 g/mol. Its IUPAC name is bis(5-tert-butyl-3-chloropyridin-2-amine);bis(6-tert-butyl-3-chloropyridin-2-amine);3-tert-butyl-2-chlorothiophene;4-tert-butyl-2-chlorothiophene;bis(5-tert-butylpyridin-2-amine);bis(6-tert-butylpyridin-2-amine);bis(2-tert-butylpyridine);bis(3-tert-butylpyridine);bis(4-tert-butylpyridine).

Molecular Properties

Compound Namebis(5-tert-butyl-3-chloropyridin-2-amine);bis(6-tert-butyl-3-chloropyridin-2-amine);3-tert-butyl-2-chlorothiophene;4-tert-butyl-2-chlorothiophene;bis(5-tert-butylpyridin-2-amine);bis(6-tert-butylpyridin-2-amine);bis(2-tert-butylpyridine);bis(3-tert-butylpyridine);bis(4-tert-butylpyridine)
PubChem CID158975687
Molecular FormulaC142H208Cl6N22S2
Molecular Weight2500.23 g/mol
Exact Mass2495.45
IUPAC Namebis(5-tert-butyl-3-chloropyridin-2-amine);bis(6-tert-butyl-3-chloropyridin-2-amine);3-tert-butyl-2-chlorothiophene;4-tert-butyl-2-chlorothiophene;bis(5-tert-butylpyridin-2-amine);bis(6-tert-butylpyridin-2-amine);bis(2-tert-butylpyridine);bis(3-tert-butylpyridine);bis(4-tert-butylpyridine)
SMILESCC(C)(C)c1ccc(Cl)c(N)n1.CC(C)(C)c1ccc(Cl)c(N)n1.CC(C)(C)c1ccc(N)nc1.CC(C)(C)c1ccc(N)nc1.CC(C)(C)c1cccc(N)n1.CC(C)(C)c1cccc(N)n1.CC(C)(C)c1ccccn1.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC(C)(C)c1cccnc1.CC(C)(C)c1ccncc1.CC(C)(C)c1ccncc1.CC(C)(C)c1ccsc1Cl.CC(C)(C)c1cnc(N)c(Cl)c1.CC(C)(C)c1cnc(N)c(Cl)c1.CC(C)(C)c1csc(Cl)c1
InChIInChI=1S/4C9H13ClN2.4C9H14N2.6C9H13N.2C8H11ClS/c2*1-9(2,3)6-4-7(10)8(11)12-5-6;2*1-9(2,3)7-5-4-6(10)8(11)12-7;2*1-9(2,3)7-4-5-8(10)11-6-7;2*1-9(2,3)7-5-4-6-8(10)11-7;2*1-9(2,3)8-4-6-10-7-5-8;2*1-9(2,3)8-5-4-6-10-7-8;2*1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)6-4-7(9)10-5-6;1-8(2,3)6-4-5-10-7(6)9/h4*4-5H,1-3H3,(H2,11,12);4*4-6H,1-3H3,(H2,10,11);6*4-7H,1-3H3;2*4-5H,1-3H3
InChIKeyJOJCWMKGMIZEEN-UHFFFAOYSA-N
XLogP39.98
TPSA388.62 Ų
H-Bond Donors8
H-Bond Acceptors24
Rotatable Bonds
Heavy Atoms172
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002500.23
LogP ≤ 539.98
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1024

Analyze bis(5-tert-butyl-3-chloropyridin-2-amine);bis(6-tert-butyl-3-chloropyridin-2-amine);3-tert-butyl-2-chlorothiophene;4-tert-butyl-2-chlorothiophene;bis(5-tert-butylpyridin-2-amine);bis(6-tert-butylpyridin-2-amine);bis(2-tert-butylpyridine);bis(3-tert-butylpyridine);bis(4-tert-butylpyridine) with MolForge

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Launch Full Analysis

Related Compounds

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CID 159293267
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CID 159945817
5-tert-butyl-2,3-dimethylpyridine;1-tert-butyl-2,3,4,5,6-pentamethylbenzene;2-tert-butylpyrazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylthiophene
CID 165087718
tetrakis(2-tert-butylpyridine);tetrakis(3-tert-butylpyridine);bis(4-tert-butylpyridine);5,5-dimethylhexa-1,3-diene;yttrium
CID 157078453
tert-butylbenzene;1-tert-butylbicyclo[1.1.1]pentane;2-tert-butylpyridine;3-tert-butylpyridine
CID 157069723
2-tert-butyl-5-methoxypyrazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;ethane;methane
CID 160529531
3-tert-butyl-1-benzothiophene;1-tert-butyl-4-methylbenzene;1-tert-butylnaphthalene;5-tert-butylpyridin-2-amine;3-tert-butylpyridine;5-tert-butylpyrimidin-2-amine;3-tert-butylquinoline;8-tert-butylquinoline;1-tert-butylthianthrene
CID 160609555
2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;2-tert-butyl-1,3,5-triazine;methane
CID 162129146
2-tert-butyl-6-phenoxypyridine;5-tert-butyl-2-(2-phenylethyl)pyridine;3-tert-butyl-2-phenylmethoxypyridine;5-tert-butyl-2-phenylmethoxypyridine;6-tert-butylpyridin-2-amine;2-tert-butylpyridine;bis(3-tert-butylpyridine);6-tert-butyl-1H-pyridin-2-one
CID 165025792
3-tert-butyl-6-methylpyridazine;bis(3-tert-butyl-4-methylpyridine);3-tert-butyl-5-methylpyridine;tris(5-tert-butyl-2-methylpyridine);5-tert-butyl-2-methylpyrimidin-4-amine;tris(5-tert-butyl-2-methylpyrimidine);5-tert-butyl-2-propylpyridine;2-tert-butylpyrazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;1-(5-tert-butyl-2-pyridinyl)propan-2-one
CID 158149057
1-tert-butyl-4-chloro-2-methoxy-5-methylbenzene;2-tert-butyl-4-chloro-1-methylbenzene;6-tert-butyl-1,3-dihydroindol-2-one;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine
CID 159309481
tert-butylbenzene;2-tert-butylpyrazine;bis(2-tert-butylpyridine);3-tert-butylpyridine;bis(2-tert-butylpyrimidine);5-tert-butylpyrimidine;methane
CID 159202689

Frequently Asked Questions

What is the IUPAC name of bis(5-tert-butyl-3-chloropyridin-2-amine);bis(6-tert-butyl-3-chloropyridin-2-amine);3-tert-butyl-2-chlorothiophene;4-tert-butyl-2-chlorothiophene;bis(5-tert-butylpyridin-2-amine);bis(6-tert-butylpyridin-2-amine);bis(2-tert-butylpyridine);bis(3-tert-butylpyridine);bis(4-tert-butylpyridine)?
The IUPAC name of bis(5-tert-butyl-3-chloropyridin-2-amine);bis(6-tert-butyl-3-chloropyridin-2-amine);3-tert-butyl-2-chlorothiophene;4-tert-butyl-2-chlorothiophene;bis(5-tert-butylpyridin-2-amine);bis(6-tert-butylpyridin-2-amine);bis(2-tert-butylpyridine);bis(3-tert-butylpyridine);bis(4-tert-butylpyridine) (CID 158975687) is bis(5-tert-butyl-3-chloropyridin-2-amine);bis(6-tert-butyl-3-chloropyridin-2-amine);3-tert-butyl-2-chlorothiophene;4-tert-butyl-2-chlorothiophene;bis(5-tert-butylpyridin-2-amine);bis(6-tert-butylpyridin-2-amine);bis(2-tert-butylpyridine);bis(3-tert-butylpyridine);bis(4-tert-butylpyridine).
What is the SMILES notation for bis(5-tert-butyl-3-chloropyridin-2-amine);bis(6-tert-butyl-3-chloropyridin-2-amine);3-tert-butyl-2-chlorothiophene;4-tert-butyl-2-chlorothiophene;bis(5-tert-butylpyridin-2-amine);bis(6-tert-butylpyridin-2-amine);bis(2-tert-butylpyridine);bis(3-tert-butylpyridine);bis(4-tert-butylpyridine)?
The canonical SMILES for bis(5-tert-butyl-3-chloropyridin-2-amine);bis(6-tert-butyl-3-chloropyridin-2-amine);3-tert-butyl-2-chlorothiophene;4-tert-butyl-2-chlorothiophene;bis(5-tert-butylpyridin-2-amine);bis(6-tert-butylpyridin-2-amine);bis(2-tert-butylpyridine);bis(3-tert-butylpyridine);bis(4-tert-butylpyridine) is CC(C)(C)c1ccc(Cl)c(N)n1.CC(C)(C)c1ccc(Cl)c(N)n1.CC(C)(C)c1ccc(N)nc1.CC(C)(C)c1ccc(N)nc1.CC(C)(C)c1cccc(N)n1.CC(C)(C)c1cccc(N)n1.CC(C)(C)c1ccccn1.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC(C)(C)c1cccnc1.CC(C)(C)c1ccncc1.CC(C)(C)c1ccncc1.CC(C)(C)c1ccsc1Cl.CC(C)(C)c1cnc(N)c(Cl)c1.CC(C)(C)c1cnc(N)c(Cl)c1.CC(C)(C)c1csc(Cl)c1.
What is the InChIKey of bis(5-tert-butyl-3-chloropyridin-2-amine);bis(6-tert-butyl-3-chloropyridin-2-amine);3-tert-butyl-2-chlorothiophene;4-tert-butyl-2-chlorothiophene;bis(5-tert-butylpyridin-2-amine);bis(6-tert-butylpyridin-2-amine);bis(2-tert-butylpyridine);bis(3-tert-butylpyridine);bis(4-tert-butylpyridine)?
The InChIKey is JOJCWMKGMIZEEN-UHFFFAOYSA-N. The full InChI is InChI=1S/4C9H13ClN2.4C9H14N2.6C9H13N.2C8H11ClS/c2*1-9(2,3)6-4-7(10)8(11)12-5-6;2*1-9(2,3)7-5-4-6(10)8(11)12-7;2*1-9(2,3)7-4-5-8(10)11-6-7;2*1-9(2,3)7-5-4-6-8(10)11-7;2*1-9(2,3)8-4-6-10-7-5-8;2*1-9(2,3)8-5-4-6-10-7-8;2*1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)6-4-7(9)10-5-6;1-8(2,3)6-4-5-10-7(6)9/h4*4-5H,1-3H3,(H2,11,12);4*4-6H,1-3H3,(H2,10,11);6*4-7H,1-3H3;2*4-5H,1-3H3.
What are the key properties of bis(5-tert-butyl-3-chloropyridin-2-amine);bis(6-tert-butyl-3-chloropyridin-2-amine);3-tert-butyl-2-chlorothiophene;4-tert-butyl-2-chlorothiophene;bis(5-tert-butylpyridin-2-amine);bis(6-tert-butylpyridin-2-amine);bis(2-tert-butylpyridine);bis(3-tert-butylpyridine);bis(4-tert-butylpyridine)?
bis(5-tert-butyl-3-chloropyridin-2-amine);bis(6-tert-butyl-3-chloropyridin-2-amine);3-tert-butyl-2-chlorothiophene;4-tert-butyl-2-chlorothiophene;bis(5-tert-butylpyridin-2-amine);bis(6-tert-butylpyridin-2-amine);bis(2-tert-butylpyridine);bis(3-tert-butylpyridine);bis(4-tert-butylpyridine) has a molecular weight of 2500.23 g/mol, XLogP of 39.98, 0 rotatable bonds, 8 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for bis(5-tert-butyl-3-chloropyridin-2-amine);bis(6-tert-butyl-3-chloropyridin-2-amine);3-tert-butyl-2-chlorothiophene;4-tert-butyl-2-chlorothiophene;bis(5-tert-butylpyridin-2-amine);bis(6-tert-butylpyridin-2-amine);bis(2-tert-butylpyridine);bis(3-tert-butylpyridine);bis(4-tert-butylpyridine) is sourced from PubChem (CID 158975687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).