2-chloro-4-methylpyridine;2-chloro-6-methylpyridine;3-chloro-2-methylpyridine;4-chloro-2-methylpyridine;5-chloro-2-methylpyridine;2-chloro-4-methyl-1,3-thiazole;1,1-dichloro-2-methylcyclopropane;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine

C66H73Cl8N13S — CID 157489969

IUPAC2-chloro-4-methylpyridine;2-chloro-6-methylpyridine;3-chloro-2-methylpyridine;4-chloro-2-methylpyridine;5-chloro-2-methylpyridine;2-chloro-4-methyl-1,3-thiazole;1,1-dichloro-2-methylcyclopropane;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine
SMILESCC1CC1(Cl)Cl.Cc1cc(Cl)ccn1.Cc1ccc(Cl)cn1.Cc1cccc(Cl)n1.Cc1ccccn1.Cc1cccnc1.Cc1ccnc(Cl)c1.Cc1ccncc1.Cc1ccncn1.Cc1csc(Cl)n1.Cc1ncccc1Cl.Cc1ncccn1
InChIInChI=1S/5C6H6ClN.3C6H7N.2C5H6N2.C4H6Cl2.C4H4ClNS/c1-5-4-6(7)2-3-8-5;1-5-2-3-6(7)4-8-5;1-5-2-3-8-6(7)4-5;1-5-6(7)3-2-4-8-5;1-5-3-2-4-6(7)8-5;1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-5-2-3-6-4-7-5;1-5-6-3-2-4-7-5;1-3-2-4(3,5)6;1-3-2-7-4(5)6-3/h5*2-4H,1H3;3*2-5H,1H3;2*2-4H,1H3;3H,2H2,1H3;2H,1H3
InChIKeyBXDQAPHJJRETCD-UHFFFAOYSA-N
MW1364.09 g/mol
LogP20.26
Rot. Bonds

About 2-chloro-4-methylpyridine;2-chloro-6-methylpyridine;3-chloro-2-methylpyridine;4-chloro-2-methylpyridine;5-chloro-2-methylpyridine;2-chloro-4-methyl-1,3-thiazole;1,1-dichloro-2-methylcyclopropane;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine

2-chloro-4-methylpyridine;2-chloro-6-methylpyridine;3-chloro-2-methylpyridine;4-chloro-2-methylpyridine;5-chloro-2-methylpyridine;2-chloro-4-methyl-1,3-thiazole;1,1-dichloro-2-methylcyclopropane;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine (PubChem CID 157489969) has the molecular formula C66H73Cl8N13S and a molecular weight of 1364.09 g/mol. Its IUPAC name is 2-chloro-4-methylpyridine;2-chloro-6-methylpyridine;3-chloro-2-methylpyridine;4-chloro-2-methylpyridine;5-chloro-2-methylpyridine;2-chloro-4-methyl-1,3-thiazole;1,1-dichloro-2-methylcyclopropane;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine.

Molecular Properties

Compound Name2-chloro-4-methylpyridine;2-chloro-6-methylpyridine;3-chloro-2-methylpyridine;4-chloro-2-methylpyridine;5-chloro-2-methylpyridine;2-chloro-4-methyl-1,3-thiazole;1,1-dichloro-2-methylcyclopropane;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine
PubChem CID157489969
Molecular FormulaC66H73Cl8N13S
Molecular Weight1364.09 g/mol
Exact Mass1359.33
IUPAC Name2-chloro-4-methylpyridine;2-chloro-6-methylpyridine;3-chloro-2-methylpyridine;4-chloro-2-methylpyridine;5-chloro-2-methylpyridine;2-chloro-4-methyl-1,3-thiazole;1,1-dichloro-2-methylcyclopropane;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine
SMILESCC1CC1(Cl)Cl.Cc1cc(Cl)ccn1.Cc1ccc(Cl)cn1.Cc1cccc(Cl)n1.Cc1ccccn1.Cc1cccnc1.Cc1ccnc(Cl)c1.Cc1ccncc1.Cc1ccncn1.Cc1csc(Cl)n1.Cc1ncccc1Cl.Cc1ncccn1
InChIInChI=1S/5C6H6ClN.3C6H7N.2C5H6N2.C4H6Cl2.C4H4ClNS/c1-5-4-6(7)2-3-8-5;1-5-2-3-6(7)4-8-5;1-5-2-3-8-6(7)4-5;1-5-6(7)3-2-4-8-5;1-5-3-2-4-6(7)8-5;1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-5-2-3-6-4-7-5;1-5-6-3-2-4-7-5;1-3-2-4(3,5)6;1-3-2-7-4(5)6-3/h5*2-4H,1H3;3*2-5H,1H3;2*2-4H,1H3;3H,2H2,1H3;2H,1H3
InChIKeyBXDQAPHJJRETCD-UHFFFAOYSA-N
XLogP20.26
TPSA167.57 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds
Heavy Atoms88
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001364.09
LogP ≤ 520.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze 2-chloro-4-methylpyridine;2-chloro-6-methylpyridine;3-chloro-2-methylpyridine;4-chloro-2-methylpyridine;5-chloro-2-methylpyridine;2-chloro-4-methyl-1,3-thiazole;1,1-dichloro-2-methylcyclopropane;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methylpyridine;2-chloro-6-methylpyridine;3-chloro-2-methylpyridine;4-chloro-2-methylpyridine;5-chloro-2-methylpyridine;2-chloro-4-methyl-1,3-thiazole;1,1-dichloro-2-methylcyclopropane;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine?
The IUPAC name of 2-chloro-4-methylpyridine;2-chloro-6-methylpyridine;3-chloro-2-methylpyridine;4-chloro-2-methylpyridine;5-chloro-2-methylpyridine;2-chloro-4-methyl-1,3-thiazole;1,1-dichloro-2-methylcyclopropane;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine (CID 157489969) is 2-chloro-4-methylpyridine;2-chloro-6-methylpyridine;3-chloro-2-methylpyridine;4-chloro-2-methylpyridine;5-chloro-2-methylpyridine;2-chloro-4-methyl-1,3-thiazole;1,1-dichloro-2-methylcyclopropane;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine.
What is the SMILES notation for 2-chloro-4-methylpyridine;2-chloro-6-methylpyridine;3-chloro-2-methylpyridine;4-chloro-2-methylpyridine;5-chloro-2-methylpyridine;2-chloro-4-methyl-1,3-thiazole;1,1-dichloro-2-methylcyclopropane;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine?
The canonical SMILES for 2-chloro-4-methylpyridine;2-chloro-6-methylpyridine;3-chloro-2-methylpyridine;4-chloro-2-methylpyridine;5-chloro-2-methylpyridine;2-chloro-4-methyl-1,3-thiazole;1,1-dichloro-2-methylcyclopropane;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine is CC1CC1(Cl)Cl.Cc1cc(Cl)ccn1.Cc1ccc(Cl)cn1.Cc1cccc(Cl)n1.Cc1ccccn1.Cc1cccnc1.Cc1ccnc(Cl)c1.Cc1ccncc1.Cc1ccncn1.Cc1csc(Cl)n1.Cc1ncccc1Cl.Cc1ncccn1.
What is the InChIKey of 2-chloro-4-methylpyridine;2-chloro-6-methylpyridine;3-chloro-2-methylpyridine;4-chloro-2-methylpyridine;5-chloro-2-methylpyridine;2-chloro-4-methyl-1,3-thiazole;1,1-dichloro-2-methylcyclopropane;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine?
The InChIKey is BXDQAPHJJRETCD-UHFFFAOYSA-N. The full InChI is InChI=1S/5C6H6ClN.3C6H7N.2C5H6N2.C4H6Cl2.C4H4ClNS/c1-5-4-6(7)2-3-8-5;1-5-2-3-6(7)4-8-5;1-5-2-3-8-6(7)4-5;1-5-6(7)3-2-4-8-5;1-5-3-2-4-6(7)8-5;1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-5-2-3-6-4-7-5;1-5-6-3-2-4-7-5;1-3-2-4(3,5)6;1-3-2-7-4(5)6-3/h5*2-4H,1H3;3*2-5H,1H3;2*2-4H,1H3;3H,2H2,1H3;2H,1H3.
What are the key properties of 2-chloro-4-methylpyridine;2-chloro-6-methylpyridine;3-chloro-2-methylpyridine;4-chloro-2-methylpyridine;5-chloro-2-methylpyridine;2-chloro-4-methyl-1,3-thiazole;1,1-dichloro-2-methylcyclopropane;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine?
2-chloro-4-methylpyridine;2-chloro-6-methylpyridine;3-chloro-2-methylpyridine;4-chloro-2-methylpyridine;5-chloro-2-methylpyridine;2-chloro-4-methyl-1,3-thiazole;1,1-dichloro-2-methylcyclopropane;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine has a molecular weight of 1364.09 g/mol, XLogP of 20.26, 0 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methylpyridine;2-chloro-6-methylpyridine;3-chloro-2-methylpyridine;4-chloro-2-methylpyridine;5-chloro-2-methylpyridine;2-chloro-4-methyl-1,3-thiazole;1,1-dichloro-2-methylcyclopropane;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine is sourced from PubChem (CID 157489969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).