2-chloro-3-propan-2-ylpyridine;3-chloro-2-propan-2-ylthiophene;1,3-difluoro-2-methyl-5-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylaniline;2-fluoro-3-propan-2-ylpyridine;2-fluoro-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylbenzene;tris(1-methyl-4-propan-2-ylbenzene);bis(2-methyl-4-propan-2-ylpyridine);1-methyl-3-propan-2-ylpyridin-2-one;1-methyl-5-propan-2-ylpyridin-2-one;bis(2-methyl-5-propan-2-ylthiophene);2-propan-2-ylcyclopenta-1,3-diene;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylthiophene

C175H244Cl2F4N10O2S4 — CID 158965299

IUPAC2-chloro-3-propan-2-ylpyridine;3-chloro-2-propan-2-ylthiophene;1,3-difluoro-2-methyl-5-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylaniline;2-fluoro-3-propan-2-ylpyridine;2-fluoro-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylbenzene;tris(1-methyl-4-propan-2-ylbenzene);bis(2-methyl-4-propan-2-ylpyridine);1-methyl-3-propan-2-ylpyridin-2-one;1-methyl-5-propan-2-ylpyridin-2-one;bis(2-methyl-5-propan-2-ylthiophene);2-propan-2-ylcyclopenta-1,3-diene;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylthiophene
SMILESCC(C)C1=CCC=C1.CC(C)c1ccc(=O)n(C)c1.CC(C)c1ccc(F)nc1.CC(C)c1ccc(N(C)C)cc1.CC(C)c1cccn(C)c1=O.CC(C)c1cccnc1.CC(C)c1cccnc1Cl.CC(C)c1cccnc1F.CC(C)c1cccs1.CC(C)c1ccncc1.CC(C)c1sccc1Cl.Cc1c(F)cc(C(C)C)cc1F.Cc1cc(C(C)C)ccn1.Cc1cc(C(C)C)ccn1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)s1.Cc1ccc(C(C)C)s1.Cc1cccc(C(C)C)c1
InChIInChI=1S/C11H17N.C10H12F2.4C10H14.2C9H13NO.2C9H13N.C8H10ClN.2C8H10FN.2C8H11N.2C8H12S.C8H12.C7H9ClS.C7H10S/c1-9(2)10-5-7-11(8-6-10)12(3)4;1-6(2)8-4-9(11)7(3)10(12)5-8;3*1-8(2)10-6-4-9(3)5-7-10;1-8(2)10-6-4-5-9(3)7-10;1-7(2)8-4-5-9(11)10(3)6-8;1-7(2)8-5-4-6-10(3)9(8)11;2*1-7(2)9-4-5-10-8(3)6-9;1-6(2)7-4-3-5-10-8(7)9;1-6(2)7-3-4-8(9)10-5-7;1-6(2)7-4-3-5-10-8(7)9;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;2*1-6(2)8-5-4-7(3)9-8;1-7(2)8-5-3-4-6-8;1-5(2)7-6(8)3-4-9-7;1-6(2)7-4-3-5-8-7/h5-9H,1-4H3;4-6H,1-3H3;4*4-8H,1-3H3;2*4-7H,1-3H3;2*4-7H,1-3H3;3*3-6H,1-2H3;2*3-7H,1-2H3;2*4-6H,1-3H3;3,5-7H,4H2,1-2H3;3-5H,1-2H3;3-6H,1-2H3
InChIKeyJNCWQPJVUOBDJE-UHFFFAOYSA-N
MW2795.11 g/mol
LogP54.03
Rot. Bonds21

About 2-chloro-3-propan-2-ylpyridine;3-chloro-2-propan-2-ylthiophene;1,3-difluoro-2-methyl-5-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylaniline;2-fluoro-3-propan-2-ylpyridine;2-fluoro-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylbenzene;tris(1-methyl-4-propan-2-ylbenzene);bis(2-methyl-4-propan-2-ylpyridine);1-methyl-3-propan-2-ylpyridin-2-one;1-methyl-5-propan-2-ylpyridin-2-one;bis(2-methyl-5-propan-2-ylthiophene);2-propan-2-ylcyclopenta-1,3-diene;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylthiophene

2-chloro-3-propan-2-ylpyridine;3-chloro-2-propan-2-ylthiophene;1,3-difluoro-2-methyl-5-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylaniline;2-fluoro-3-propan-2-ylpyridine;2-fluoro-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylbenzene;tris(1-methyl-4-propan-2-ylbenzene);bis(2-methyl-4-propan-2-ylpyridine);1-methyl-3-propan-2-ylpyridin-2-one;1-methyl-5-propan-2-ylpyridin-2-one;bis(2-methyl-5-propan-2-ylthiophene);2-propan-2-ylcyclopenta-1,3-diene;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylthiophene (PubChem CID 158965299) has the molecular formula C175H244Cl2F4N10O2S4 and a molecular weight of 2795.11 g/mol. Its IUPAC name is 2-chloro-3-propan-2-ylpyridine;3-chloro-2-propan-2-ylthiophene;1,3-difluoro-2-methyl-5-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylaniline;2-fluoro-3-propan-2-ylpyridine;2-fluoro-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylbenzene;tris(1-methyl-4-propan-2-ylbenzene);bis(2-methyl-4-propan-2-ylpyridine);1-methyl-3-propan-2-ylpyridin-2-one;1-methyl-5-propan-2-ylpyridin-2-one;bis(2-methyl-5-propan-2-ylthiophene);2-propan-2-ylcyclopenta-1,3-diene;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylthiophene.

Molecular Properties

Compound Name2-chloro-3-propan-2-ylpyridine;3-chloro-2-propan-2-ylthiophene;1,3-difluoro-2-methyl-5-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylaniline;2-fluoro-3-propan-2-ylpyridine;2-fluoro-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylbenzene;tris(1-methyl-4-propan-2-ylbenzene);bis(2-methyl-4-propan-2-ylpyridine);1-methyl-3-propan-2-ylpyridin-2-one;1-methyl-5-propan-2-ylpyridin-2-one;bis(2-methyl-5-propan-2-ylthiophene);2-propan-2-ylcyclopenta-1,3-diene;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylthiophene
PubChem CID158965299
Molecular FormulaC175H244Cl2F4N10O2S4
Molecular Weight2795.11 g/mol
Exact Mass2791.75
IUPAC Name2-chloro-3-propan-2-ylpyridine;3-chloro-2-propan-2-ylthiophene;1,3-difluoro-2-methyl-5-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylaniline;2-fluoro-3-propan-2-ylpyridine;2-fluoro-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylbenzene;tris(1-methyl-4-propan-2-ylbenzene);bis(2-methyl-4-propan-2-ylpyridine);1-methyl-3-propan-2-ylpyridin-2-one;1-methyl-5-propan-2-ylpyridin-2-one;bis(2-methyl-5-propan-2-ylthiophene);2-propan-2-ylcyclopenta-1,3-diene;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylthiophene
SMILESCC(C)C1=CCC=C1.CC(C)c1ccc(=O)n(C)c1.CC(C)c1ccc(F)nc1.CC(C)c1ccc(N(C)C)cc1.CC(C)c1cccn(C)c1=O.CC(C)c1cccnc1.CC(C)c1cccnc1Cl.CC(C)c1cccnc1F.CC(C)c1cccs1.CC(C)c1ccncc1.CC(C)c1sccc1Cl.Cc1c(F)cc(C(C)C)cc1F.Cc1cc(C(C)C)ccn1.Cc1cc(C(C)C)ccn1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)s1.Cc1ccc(C(C)C)s1.Cc1cccc(C(C)C)c1
InChIInChI=1S/C11H17N.C10H12F2.4C10H14.2C9H13NO.2C9H13N.C8H10ClN.2C8H10FN.2C8H11N.2C8H12S.C8H12.C7H9ClS.C7H10S/c1-9(2)10-5-7-11(8-6-10)12(3)4;1-6(2)8-4-9(11)7(3)10(12)5-8;3*1-8(2)10-6-4-9(3)5-7-10;1-8(2)10-6-4-5-9(3)7-10;1-7(2)8-4-5-9(11)10(3)6-8;1-7(2)8-5-4-6-10(3)9(8)11;2*1-7(2)9-4-5-10-8(3)6-9;1-6(2)7-4-3-5-10-8(7)9;1-6(2)7-3-4-8(9)10-5-7;1-6(2)7-4-3-5-10-8(7)9;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;2*1-6(2)8-5-4-7(3)9-8;1-7(2)8-5-3-4-6-8;1-5(2)7-6(8)3-4-9-7;1-6(2)7-4-3-5-8-7/h5-9H,1-4H3;4-6H,1-3H3;4*4-8H,1-3H3;2*4-7H,1-3H3;2*4-7H,1-3H3;3*3-6H,1-2H3;2*3-7H,1-2H3;2*4-6H,1-3H3;3,5-7H,4H2,1-2H3;3-5H,1-2H3;3-6H,1-2H3
InChIKeyJNCWQPJVUOBDJE-UHFFFAOYSA-N
XLogP54.03
TPSA137.47 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds21
Heavy Atoms197
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002795.11
LogP ≤ 554.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-chloro-3-propan-2-ylpyridine;3-chloro-2-propan-2-ylthiophene;1,3-difluoro-2-methyl-5-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylaniline;2-fluoro-3-propan-2-ylpyridine;2-fluoro-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylbenzene;tris(1-methyl-4-propan-2-ylbenzene);bis(2-methyl-4-propan-2-ylpyridine);1-methyl-3-propan-2-ylpyridin-2-one;1-methyl-5-propan-2-ylpyridin-2-one;bis(2-methyl-5-propan-2-ylthiophene);2-propan-2-ylcyclopenta-1,3-diene;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylthiophene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-propan-2-ylpyridine;3-chloro-2-propan-2-ylthiophene;1,3-difluoro-2-methyl-5-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylaniline;2-fluoro-3-propan-2-ylpyridine;2-fluoro-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylbenzene;tris(1-methyl-4-propan-2-ylbenzene);bis(2-methyl-4-propan-2-ylpyridine);1-methyl-3-propan-2-ylpyridin-2-one;1-methyl-5-propan-2-ylpyridin-2-one;bis(2-methyl-5-propan-2-ylthiophene);2-propan-2-ylcyclopenta-1,3-diene;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylthiophene?
The IUPAC name of 2-chloro-3-propan-2-ylpyridine;3-chloro-2-propan-2-ylthiophene;1,3-difluoro-2-methyl-5-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylaniline;2-fluoro-3-propan-2-ylpyridine;2-fluoro-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylbenzene;tris(1-methyl-4-propan-2-ylbenzene);bis(2-methyl-4-propan-2-ylpyridine);1-methyl-3-propan-2-ylpyridin-2-one;1-methyl-5-propan-2-ylpyridin-2-one;bis(2-methyl-5-propan-2-ylthiophene);2-propan-2-ylcyclopenta-1,3-diene;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylthiophene (CID 158965299) is 2-chloro-3-propan-2-ylpyridine;3-chloro-2-propan-2-ylthiophene;1,3-difluoro-2-methyl-5-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylaniline;2-fluoro-3-propan-2-ylpyridine;2-fluoro-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylbenzene;tris(1-methyl-4-propan-2-ylbenzene);bis(2-methyl-4-propan-2-ylpyridine);1-methyl-3-propan-2-ylpyridin-2-one;1-methyl-5-propan-2-ylpyridin-2-one;bis(2-methyl-5-propan-2-ylthiophene);2-propan-2-ylcyclopenta-1,3-diene;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylthiophene.
What is the SMILES notation for 2-chloro-3-propan-2-ylpyridine;3-chloro-2-propan-2-ylthiophene;1,3-difluoro-2-methyl-5-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylaniline;2-fluoro-3-propan-2-ylpyridine;2-fluoro-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylbenzene;tris(1-methyl-4-propan-2-ylbenzene);bis(2-methyl-4-propan-2-ylpyridine);1-methyl-3-propan-2-ylpyridin-2-one;1-methyl-5-propan-2-ylpyridin-2-one;bis(2-methyl-5-propan-2-ylthiophene);2-propan-2-ylcyclopenta-1,3-diene;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylthiophene?
The canonical SMILES for 2-chloro-3-propan-2-ylpyridine;3-chloro-2-propan-2-ylthiophene;1,3-difluoro-2-methyl-5-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylaniline;2-fluoro-3-propan-2-ylpyridine;2-fluoro-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylbenzene;tris(1-methyl-4-propan-2-ylbenzene);bis(2-methyl-4-propan-2-ylpyridine);1-methyl-3-propan-2-ylpyridin-2-one;1-methyl-5-propan-2-ylpyridin-2-one;bis(2-methyl-5-propan-2-ylthiophene);2-propan-2-ylcyclopenta-1,3-diene;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylthiophene is CC(C)C1=CCC=C1.CC(C)c1ccc(=O)n(C)c1.CC(C)c1ccc(F)nc1.CC(C)c1ccc(N(C)C)cc1.CC(C)c1cccn(C)c1=O.CC(C)c1cccnc1.CC(C)c1cccnc1Cl.CC(C)c1cccnc1F.CC(C)c1cccs1.CC(C)c1ccncc1.CC(C)c1sccc1Cl.Cc1c(F)cc(C(C)C)cc1F.Cc1cc(C(C)C)ccn1.Cc1cc(C(C)C)ccn1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)s1.Cc1ccc(C(C)C)s1.Cc1cccc(C(C)C)c1.
What is the InChIKey of 2-chloro-3-propan-2-ylpyridine;3-chloro-2-propan-2-ylthiophene;1,3-difluoro-2-methyl-5-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylaniline;2-fluoro-3-propan-2-ylpyridine;2-fluoro-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylbenzene;tris(1-methyl-4-propan-2-ylbenzene);bis(2-methyl-4-propan-2-ylpyridine);1-methyl-3-propan-2-ylpyridin-2-one;1-methyl-5-propan-2-ylpyridin-2-one;bis(2-methyl-5-propan-2-ylthiophene);2-propan-2-ylcyclopenta-1,3-diene;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylthiophene?
The InChIKey is JNCWQPJVUOBDJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N.C10H12F2.4C10H14.2C9H13NO.2C9H13N.C8H10ClN.2C8H10FN.2C8H11N.2C8H12S.C8H12.C7H9ClS.C7H10S/c1-9(2)10-5-7-11(8-6-10)12(3)4;1-6(2)8-4-9(11)7(3)10(12)5-8;3*1-8(2)10-6-4-9(3)5-7-10;1-8(2)10-6-4-5-9(3)7-10;1-7(2)8-4-5-9(11)10(3)6-8;1-7(2)8-5-4-6-10(3)9(8)11;2*1-7(2)9-4-5-10-8(3)6-9;1-6(2)7-4-3-5-10-8(7)9;1-6(2)7-3-4-8(9)10-5-7;1-6(2)7-4-3-5-10-8(7)9;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;2*1-6(2)8-5-4-7(3)9-8;1-7(2)8-5-3-4-6-8;1-5(2)7-6(8)3-4-9-7;1-6(2)7-4-3-5-8-7/h5-9H,1-4H3;4-6H,1-3H3;4*4-8H,1-3H3;2*4-7H,1-3H3;2*4-7H,1-3H3;3*3-6H,1-2H3;2*3-7H,1-2H3;2*4-6H,1-3H3;3,5-7H,4H2,1-2H3;3-5H,1-2H3;3-6H,1-2H3.
What are the key properties of 2-chloro-3-propan-2-ylpyridine;3-chloro-2-propan-2-ylthiophene;1,3-difluoro-2-methyl-5-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylaniline;2-fluoro-3-propan-2-ylpyridine;2-fluoro-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylbenzene;tris(1-methyl-4-propan-2-ylbenzene);bis(2-methyl-4-propan-2-ylpyridine);1-methyl-3-propan-2-ylpyridin-2-one;1-methyl-5-propan-2-ylpyridin-2-one;bis(2-methyl-5-propan-2-ylthiophene);2-propan-2-ylcyclopenta-1,3-diene;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylthiophene?
2-chloro-3-propan-2-ylpyridine;3-chloro-2-propan-2-ylthiophene;1,3-difluoro-2-methyl-5-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylaniline;2-fluoro-3-propan-2-ylpyridine;2-fluoro-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylbenzene;tris(1-methyl-4-propan-2-ylbenzene);bis(2-methyl-4-propan-2-ylpyridine);1-methyl-3-propan-2-ylpyridin-2-one;1-methyl-5-propan-2-ylpyridin-2-one;bis(2-methyl-5-propan-2-ylthiophene);2-propan-2-ylcyclopenta-1,3-diene;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylthiophene has a molecular weight of 2795.11 g/mol, XLogP of 54.03, 21 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-propan-2-ylpyridine;3-chloro-2-propan-2-ylthiophene;1,3-difluoro-2-methyl-5-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylaniline;2-fluoro-3-propan-2-ylpyridine;2-fluoro-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylbenzene;tris(1-methyl-4-propan-2-ylbenzene);bis(2-methyl-4-propan-2-ylpyridine);1-methyl-3-propan-2-ylpyridin-2-one;1-methyl-5-propan-2-ylpyridin-2-one;bis(2-methyl-5-propan-2-ylthiophene);2-propan-2-ylcyclopenta-1,3-diene;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylthiophene is sourced from PubChem (CID 158965299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).