2-chloro-6-propan-2-ylpyridine;3-chloro-2-propan-2-ylpyridine;4-chloro-2-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;3-fluoro-2-propan-2-ylpyridine;4-fluoro-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine

C71H91Cl4F3N10 — CID 158940214

IUPAC2-chloro-6-propan-2-ylpyridine;3-chloro-2-propan-2-ylpyridine;4-chloro-2-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;3-fluoro-2-propan-2-ylpyridine;4-fluoro-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine
SMILESCC(C)c1cc(Cl)ccn1.CC(C)c1cc(F)ccn1.CC(C)c1ccc(Cl)cn1.CC(C)c1ccc(F)cn1.CC(C)c1cccc(Cl)n1.CC(C)c1ccccn1.CC(C)c1ncccc1Cl.CC(C)c1ncccc1F.CC(C)c1ncccn1
InChIInChI=1S/4C8H10ClN.3C8H10FN.C8H11N.C7H10N2/c1-6(2)8-5-7(9)3-4-10-8;1-6(2)8-4-3-7(9)5-10-8;1-6(2)8-7(9)4-3-5-10-8;1-6(2)7-4-3-5-8(9)10-7;1-6(2)8-5-7(9)3-4-10-8;1-6(2)8-4-3-7(9)5-10-8;1-6(2)8-7(9)4-3-5-10-8;1-7(2)8-5-3-4-6-9-8;1-6(2)7-8-4-3-5-9-7/h7*3-6H,1-2H3;3-7H,1-2H3;3-6H,1-2H3
InChIKeyJKDOJSDRGZJYHT-UHFFFAOYSA-N
MW1283.38 g/mol
LogP22.27
Rot. Bonds9

About 2-chloro-6-propan-2-ylpyridine;3-chloro-2-propan-2-ylpyridine;4-chloro-2-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;3-fluoro-2-propan-2-ylpyridine;4-fluoro-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine

2-chloro-6-propan-2-ylpyridine;3-chloro-2-propan-2-ylpyridine;4-chloro-2-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;3-fluoro-2-propan-2-ylpyridine;4-fluoro-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine (PubChem CID 158940214) has the molecular formula C71H91Cl4F3N10 and a molecular weight of 1283.38 g/mol. Its IUPAC name is 2-chloro-6-propan-2-ylpyridine;3-chloro-2-propan-2-ylpyridine;4-chloro-2-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;3-fluoro-2-propan-2-ylpyridine;4-fluoro-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine.

Molecular Properties

Compound Name2-chloro-6-propan-2-ylpyridine;3-chloro-2-propan-2-ylpyridine;4-chloro-2-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;3-fluoro-2-propan-2-ylpyridine;4-fluoro-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine
PubChem CID158940214
Molecular FormulaC71H91Cl4F3N10
Molecular Weight1283.38 g/mol
Exact Mass1280.61
IUPAC Name2-chloro-6-propan-2-ylpyridine;3-chloro-2-propan-2-ylpyridine;4-chloro-2-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;3-fluoro-2-propan-2-ylpyridine;4-fluoro-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine
SMILESCC(C)c1cc(Cl)ccn1.CC(C)c1cc(F)ccn1.CC(C)c1ccc(Cl)cn1.CC(C)c1ccc(F)cn1.CC(C)c1cccc(Cl)n1.CC(C)c1ccccn1.CC(C)c1ncccc1Cl.CC(C)c1ncccc1F.CC(C)c1ncccn1
InChIInChI=1S/4C8H10ClN.3C8H10FN.C8H11N.C7H10N2/c1-6(2)8-5-7(9)3-4-10-8;1-6(2)8-4-3-7(9)5-10-8;1-6(2)8-7(9)4-3-5-10-8;1-6(2)7-4-3-5-8(9)10-7;1-6(2)8-5-7(9)3-4-10-8;1-6(2)8-4-3-7(9)5-10-8;1-6(2)8-7(9)4-3-5-10-8;1-7(2)8-5-3-4-6-9-8;1-6(2)7-8-4-3-5-9-7/h7*3-6H,1-2H3;3-7H,1-2H3;3-6H,1-2H3
InChIKeyJKDOJSDRGZJYHT-UHFFFAOYSA-N
XLogP22.27
TPSA128.90 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms88
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001283.38
LogP ≤ 522.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 2-chloro-6-propan-2-ylpyridine;3-chloro-2-propan-2-ylpyridine;4-chloro-2-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;3-fluoro-2-propan-2-ylpyridine;4-fluoro-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-propan-2-ylpyridine;3-chloro-2-propan-2-ylpyridine;4-chloro-2-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;3-fluoro-2-propan-2-ylpyridine;4-fluoro-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine?
The IUPAC name of 2-chloro-6-propan-2-ylpyridine;3-chloro-2-propan-2-ylpyridine;4-chloro-2-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;3-fluoro-2-propan-2-ylpyridine;4-fluoro-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine (CID 158940214) is 2-chloro-6-propan-2-ylpyridine;3-chloro-2-propan-2-ylpyridine;4-chloro-2-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;3-fluoro-2-propan-2-ylpyridine;4-fluoro-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine.
What is the SMILES notation for 2-chloro-6-propan-2-ylpyridine;3-chloro-2-propan-2-ylpyridine;4-chloro-2-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;3-fluoro-2-propan-2-ylpyridine;4-fluoro-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine?
The canonical SMILES for 2-chloro-6-propan-2-ylpyridine;3-chloro-2-propan-2-ylpyridine;4-chloro-2-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;3-fluoro-2-propan-2-ylpyridine;4-fluoro-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine is CC(C)c1cc(Cl)ccn1.CC(C)c1cc(F)ccn1.CC(C)c1ccc(Cl)cn1.CC(C)c1ccc(F)cn1.CC(C)c1cccc(Cl)n1.CC(C)c1ccccn1.CC(C)c1ncccc1Cl.CC(C)c1ncccc1F.CC(C)c1ncccn1.
What is the InChIKey of 2-chloro-6-propan-2-ylpyridine;3-chloro-2-propan-2-ylpyridine;4-chloro-2-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;3-fluoro-2-propan-2-ylpyridine;4-fluoro-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine?
The InChIKey is JKDOJSDRGZJYHT-UHFFFAOYSA-N. The full InChI is InChI=1S/4C8H10ClN.3C8H10FN.C8H11N.C7H10N2/c1-6(2)8-5-7(9)3-4-10-8;1-6(2)8-4-3-7(9)5-10-8;1-6(2)8-7(9)4-3-5-10-8;1-6(2)7-4-3-5-8(9)10-7;1-6(2)8-5-7(9)3-4-10-8;1-6(2)8-4-3-7(9)5-10-8;1-6(2)8-7(9)4-3-5-10-8;1-7(2)8-5-3-4-6-9-8;1-6(2)7-8-4-3-5-9-7/h7*3-6H,1-2H3;3-7H,1-2H3;3-6H,1-2H3.
What are the key properties of 2-chloro-6-propan-2-ylpyridine;3-chloro-2-propan-2-ylpyridine;4-chloro-2-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;3-fluoro-2-propan-2-ylpyridine;4-fluoro-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine?
2-chloro-6-propan-2-ylpyridine;3-chloro-2-propan-2-ylpyridine;4-chloro-2-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;3-fluoro-2-propan-2-ylpyridine;4-fluoro-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine has a molecular weight of 1283.38 g/mol, XLogP of 22.27, 9 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-propan-2-ylpyridine;3-chloro-2-propan-2-ylpyridine;4-chloro-2-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;3-fluoro-2-propan-2-ylpyridine;4-fluoro-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine is sourced from PubChem (CID 158940214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).