3-chloropyridine;4-chloropyridine;3-cyclopropylpyridine;bis(3,5-dimethylpyridine);3-ethenylpyridine;3-fluoro-5-methylpyridine;3-fluoropyridine;isoquinoline;2-methylpyridine;octakis(3-methylpyridine);4-methylpyridine;2-methyl-1,3-thiazole;pyridine;quinoline;bis(1,3-thiazole)

C152H159Cl2F2N25S3 — CID 157282822

IUPAC3-chloropyridine;4-chloropyridine;3-cyclopropylpyridine;bis(3,5-dimethylpyridine);3-ethenylpyridine;3-fluoro-5-methylpyridine;3-fluoropyridine;isoquinoline;2-methylpyridine;octakis(3-methylpyridine);4-methylpyridine;2-methyl-1,3-thiazole;pyridine;quinoline;bis(1,3-thiazole)
SMILESC=Cc1cccnc1.Cc1ccccn1.Cc1cccnc1.Cc1cccnc1.Cc1cccnc1.Cc1cccnc1.Cc1cccnc1.Cc1cccnc1.Cc1cccnc1.Cc1cccnc1.Cc1ccncc1.Cc1cncc(C)c1.Cc1cncc(C)c1.Cc1cncc(F)c1.Cc1nccs1.Clc1cccnc1.Clc1ccncc1.Fc1cccnc1.c1ccc2cnccc2c1.c1ccc2cnccc2c1.c1ccc2ncccc2c1.c1ccncc1.c1cncc(C2CC2)c1.c1cscn1.c1cscn1
InChIInChI=1S/3C9H7N.C8H9N.2C7H9N.C7H7N.C6H6FN.10C6H7N.2C5H4ClN.C5H4FN.C5H5N.C4H5NS.2C3H3NS/c1-2-6-9-8(4-1)5-3-7-10-9;2*1-2-4-9-7-10-6-5-8(9)3-1;1-2-8(6-9-5-1)7-3-4-7;2*1-6-3-7(2)5-8-4-6;1-2-7-4-3-5-8-6-7;1-5-2-6(7)4-8-3-5;1-6-2-4-7-5-3-6;8*1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;6-5-1-3-7-4-2-5;2*6-5-2-1-3-7-4-5;1-2-4-6-5-3-1;1-4-5-2-3-6-4;2*1-2-5-3-4-1/h3*1-7H;1-2,5-7H,3-4H2;2*3-5H,1-2H3;2-6H,1H2;2-4H,1H3;10*2-5H,1H3;3*1-4H;1-5H;2-3H,1H3;2*1-3H
InChIKeyAZWFFRDQMJSAIE-UHFFFAOYSA-N
MW2541.22 g/mol
LogP38.72
Rot. Bonds2

About 3-chloropyridine;4-chloropyridine;3-cyclopropylpyridine;bis(3,5-dimethylpyridine);3-ethenylpyridine;3-fluoro-5-methylpyridine;3-fluoropyridine;isoquinoline;2-methylpyridine;octakis(3-methylpyridine);4-methylpyridine;2-methyl-1,3-thiazole;pyridine;quinoline;bis(1,3-thiazole)

3-chloropyridine;4-chloropyridine;3-cyclopropylpyridine;bis(3,5-dimethylpyridine);3-ethenylpyridine;3-fluoro-5-methylpyridine;3-fluoropyridine;isoquinoline;2-methylpyridine;octakis(3-methylpyridine);4-methylpyridine;2-methyl-1,3-thiazole;pyridine;quinoline;bis(1,3-thiazole) (PubChem CID 157282822) has the molecular formula C152H159Cl2F2N25S3 and a molecular weight of 2541.22 g/mol. Its IUPAC name is 3-chloropyridine;4-chloropyridine;3-cyclopropylpyridine;bis(3,5-dimethylpyridine);3-ethenylpyridine;3-fluoro-5-methylpyridine;3-fluoropyridine;isoquinoline;2-methylpyridine;octakis(3-methylpyridine);4-methylpyridine;2-methyl-1,3-thiazole;pyridine;quinoline;bis(1,3-thiazole).

Molecular Properties

Compound Name3-chloropyridine;4-chloropyridine;3-cyclopropylpyridine;bis(3,5-dimethylpyridine);3-ethenylpyridine;3-fluoro-5-methylpyridine;3-fluoropyridine;isoquinoline;2-methylpyridine;octakis(3-methylpyridine);4-methylpyridine;2-methyl-1,3-thiazole;pyridine;quinoline;bis(1,3-thiazole)
PubChem CID157282822
Molecular FormulaC152H159Cl2F2N25S3
Molecular Weight2541.22 g/mol
Exact Mass2538.17
IUPAC Name3-chloropyridine;4-chloropyridine;3-cyclopropylpyridine;bis(3,5-dimethylpyridine);3-ethenylpyridine;3-fluoro-5-methylpyridine;3-fluoropyridine;isoquinoline;2-methylpyridine;octakis(3-methylpyridine);4-methylpyridine;2-methyl-1,3-thiazole;pyridine;quinoline;bis(1,3-thiazole)
SMILESC=Cc1cccnc1.Cc1ccccn1.Cc1cccnc1.Cc1cccnc1.Cc1cccnc1.Cc1cccnc1.Cc1cccnc1.Cc1cccnc1.Cc1cccnc1.Cc1cccnc1.Cc1ccncc1.Cc1cncc(C)c1.Cc1cncc(C)c1.Cc1cncc(F)c1.Cc1nccs1.Clc1cccnc1.Clc1ccncc1.Fc1cccnc1.c1ccc2cnccc2c1.c1ccc2cnccc2c1.c1ccc2ncccc2c1.c1ccncc1.c1cncc(C2CC2)c1.c1cscn1.c1cscn1
InChIInChI=1S/3C9H7N.C8H9N.2C7H9N.C7H7N.C6H6FN.10C6H7N.2C5H4ClN.C5H4FN.C5H5N.C4H5NS.2C3H3NS/c1-2-6-9-8(4-1)5-3-7-10-9;2*1-2-4-9-7-10-6-5-8(9)3-1;1-2-8(6-9-5-1)7-3-4-7;2*1-6-3-7(2)5-8-4-6;1-2-7-4-3-5-8-6-7;1-5-2-6(7)4-8-3-5;1-6-2-4-7-5-3-6;8*1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;6-5-1-3-7-4-2-5;2*6-5-2-1-3-7-4-5;1-2-4-6-5-3-1;1-4-5-2-3-6-4;2*1-2-5-3-4-1/h3*1-7H;1-2,5-7H,3-4H2;2*3-5H,1-2H3;2-6H,1H2;2-4H,1H3;10*2-5H,1H3;3*1-4H;1-5H;2-3H,1H3;2*1-3H
InChIKeyAZWFFRDQMJSAIE-UHFFFAOYSA-N
XLogP38.72
TPSA322.25 Ų
H-Bond Donors
H-Bond Acceptors28
Rotatable Bonds2
Heavy Atoms184
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002541.22
LogP ≤ 538.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1028

Analyze 3-chloropyridine;4-chloropyridine;3-cyclopropylpyridine;bis(3,5-dimethylpyridine);3-ethenylpyridine;3-fluoro-5-methylpyridine;3-fluoropyridine;isoquinoline;2-methylpyridine;octakis(3-methylpyridine);4-methylpyridine;2-methyl-1,3-thiazole;pyridine;quinoline;bis(1,3-thiazole) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Tert-butylbenzene;tert-butylcyclohexane;tert-butylcyclopropane;1-tert-butyl-3-fluoro-2-methylbenzene;1-tert-butyl-4-fluoro-2-methylbenzene;2-tert-butyl-1-fluoro-3-methylbenzene;2-tert-butyl-6-methylpyridine;5-tert-butyl-2-methylpyridine;4-tert-butyl-2-methyl-1,3-thiazole;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylthiophene;3-tert-butylthiophene;methane;2,2,3,3-tetramethylbutane
CID 157598364
2-(4-Chlorophenyl)-5-(2-methylpropyl)-4-(4-methyl-3-pyridinyl)-1,3-thiazole;2-(4-chlorophenyl)-4-[4-(2-methylpropyl)-3-pyridinyl]-1,3-thiazole;2-(4-chlorophenyl)-4-(4-methyl-3-pyridinyl)-1,3-thiazole
CID 157998140
3-Methylisoquinoline;bis(3-methylpyridine);2-methylquinoline;2-methyl-1,3-thiazole;toluene
CID 158249084
bis(2,6-dimethyl-7,8-dihydro-5H-1,6-naphthyridine);bis(2,3-dimethylpyridine);bis(2,5-dimethylpyridine);tris(2,6-dimethylpyridine);tetrakis(2,4-dimethyl-1,3-thiazole);bis(1-methylisoquinoline);bis(3-methylisoquinoline);tris(2-methylquinoline)
CID 159072290
2,6-dimethyl-7,8-dihydro-5H-1,6-naphthyridine;2,3-dimethylpyridine;2,5-dimethylpyridine;2,6-dimethylpyridine;bis(2,4-dimethyl-1,3-thiazole);1-methylisoquinoline;3-methylisoquinoline;bis(2-methylquinoline)
CID 159281686
2-Bromo-5-methyl-1,3-thiazole;2-chloro-1,5-naphthyridine;2-methyl-1,5-naphthyridine;5-methyl-2-(1,5-naphthyridin-2-yl)-1,3-thiazole;5-methyl-2-(5,6,7,8-tetrahydroquinolin-2-yl)-1,3-thiazole
CID 159696514
3-Chloropyridine;4-chloropyridine;3-cyclopropylpyridine;bis(3,5-dimethylpyridine);3-ethenylpyridine;3-fluoro-5-methylpyridine;3-fluoropyridine;isoquinoline;methane;2-methylpyridine;octakis(3-methylpyridine);4-methylpyridine;2-methyl-1,3-thiazole;pyridine;quinoline;bis(1,3-thiazole)
CID 160159709
5-Chloro-1,6-naphthyridine;2-(1,6-naphthyridin-5-yl)-1,3-thiazole;2-(5,6,7,8-tetrahydroisoquinolin-1-yl)-1,3-thiazole
CID 161108008
2,6-dimethyl-7,8-dihydro-5H-1,6-naphthyridine;2,3-dimethylpyridine;2,5-dimethylpyridine;2,6-dimethylpyridine;bis(2,4-dimethyl-1,3-thiazole);1-methylisoquinoline;3-methylisoquinoline;2-methylquinoline
CID 161157668

Frequently Asked Questions

What is the IUPAC name of 3-chloropyridine;4-chloropyridine;3-cyclopropylpyridine;bis(3,5-dimethylpyridine);3-ethenylpyridine;3-fluoro-5-methylpyridine;3-fluoropyridine;isoquinoline;2-methylpyridine;octakis(3-methylpyridine);4-methylpyridine;2-methyl-1,3-thiazole;pyridine;quinoline;bis(1,3-thiazole)?
The IUPAC name of 3-chloropyridine;4-chloropyridine;3-cyclopropylpyridine;bis(3,5-dimethylpyridine);3-ethenylpyridine;3-fluoro-5-methylpyridine;3-fluoropyridine;isoquinoline;2-methylpyridine;octakis(3-methylpyridine);4-methylpyridine;2-methyl-1,3-thiazole;pyridine;quinoline;bis(1,3-thiazole) (CID 157282822) is 3-chloropyridine;4-chloropyridine;3-cyclopropylpyridine;bis(3,5-dimethylpyridine);3-ethenylpyridine;3-fluoro-5-methylpyridine;3-fluoropyridine;isoquinoline;2-methylpyridine;octakis(3-methylpyridine);4-methylpyridine;2-methyl-1,3-thiazole;pyridine;quinoline;bis(1,3-thiazole).
What is the SMILES notation for 3-chloropyridine;4-chloropyridine;3-cyclopropylpyridine;bis(3,5-dimethylpyridine);3-ethenylpyridine;3-fluoro-5-methylpyridine;3-fluoropyridine;isoquinoline;2-methylpyridine;octakis(3-methylpyridine);4-methylpyridine;2-methyl-1,3-thiazole;pyridine;quinoline;bis(1,3-thiazole)?
The canonical SMILES for 3-chloropyridine;4-chloropyridine;3-cyclopropylpyridine;bis(3,5-dimethylpyridine);3-ethenylpyridine;3-fluoro-5-methylpyridine;3-fluoropyridine;isoquinoline;2-methylpyridine;octakis(3-methylpyridine);4-methylpyridine;2-methyl-1,3-thiazole;pyridine;quinoline;bis(1,3-thiazole) is C=Cc1cccnc1.Cc1ccccn1.Cc1cccnc1.Cc1cccnc1.Cc1cccnc1.Cc1cccnc1.Cc1cccnc1.Cc1cccnc1.Cc1cccnc1.Cc1cccnc1.Cc1ccncc1.Cc1cncc(C)c1.Cc1cncc(C)c1.Cc1cncc(F)c1.Cc1nccs1.Clc1cccnc1.Clc1ccncc1.Fc1cccnc1.c1ccc2cnccc2c1.c1ccc2cnccc2c1.c1ccc2ncccc2c1.c1ccncc1.c1cncc(C2CC2)c1.c1cscn1.c1cscn1.
What is the InChIKey of 3-chloropyridine;4-chloropyridine;3-cyclopropylpyridine;bis(3,5-dimethylpyridine);3-ethenylpyridine;3-fluoro-5-methylpyridine;3-fluoropyridine;isoquinoline;2-methylpyridine;octakis(3-methylpyridine);4-methylpyridine;2-methyl-1,3-thiazole;pyridine;quinoline;bis(1,3-thiazole)?
The InChIKey is AZWFFRDQMJSAIE-UHFFFAOYSA-N. The full InChI is InChI=1S/3C9H7N.C8H9N.2C7H9N.C7H7N.C6H6FN.10C6H7N.2C5H4ClN.C5H4FN.C5H5N.C4H5NS.2C3H3NS/c1-2-6-9-8(4-1)5-3-7-10-9;2*1-2-4-9-7-10-6-5-8(9)3-1;1-2-8(6-9-5-1)7-3-4-7;2*1-6-3-7(2)5-8-4-6;1-2-7-4-3-5-8-6-7;1-5-2-6(7)4-8-3-5;1-6-2-4-7-5-3-6;8*1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;6-5-1-3-7-4-2-5;2*6-5-2-1-3-7-4-5;1-2-4-6-5-3-1;1-4-5-2-3-6-4;2*1-2-5-3-4-1/h3*1-7H;1-2,5-7H,3-4H2;2*3-5H,1-2H3;2-6H,1H2;2-4H,1H3;10*2-5H,1H3;3*1-4H;1-5H;2-3H,1H3;2*1-3H.
What are the key properties of 3-chloropyridine;4-chloropyridine;3-cyclopropylpyridine;bis(3,5-dimethylpyridine);3-ethenylpyridine;3-fluoro-5-methylpyridine;3-fluoropyridine;isoquinoline;2-methylpyridine;octakis(3-methylpyridine);4-methylpyridine;2-methyl-1,3-thiazole;pyridine;quinoline;bis(1,3-thiazole)?
3-chloropyridine;4-chloropyridine;3-cyclopropylpyridine;bis(3,5-dimethylpyridine);3-ethenylpyridine;3-fluoro-5-methylpyridine;3-fluoropyridine;isoquinoline;2-methylpyridine;octakis(3-methylpyridine);4-methylpyridine;2-methyl-1,3-thiazole;pyridine;quinoline;bis(1,3-thiazole) has a molecular weight of 2541.22 g/mol, XLogP of 38.72, 2 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloropyridine;4-chloropyridine;3-cyclopropylpyridine;bis(3,5-dimethylpyridine);3-ethenylpyridine;3-fluoro-5-methylpyridine;3-fluoropyridine;isoquinoline;2-methylpyridine;octakis(3-methylpyridine);4-methylpyridine;2-methyl-1,3-thiazole;pyridine;quinoline;bis(1,3-thiazole) is sourced from PubChem (CID 157282822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).