3-chloro-2,6-dimethyl-4-propan-2-ylpyridine

C10H14ClN — CID 161364296

IUPAC3-chloro-2,6-dimethyl-4-propan-2-ylpyridine
SMILESCc1cc(C(C)C)c(Cl)c(C)n1
InChIInChI=1S/C10H14ClN/c1-6(2)9-5-7(3)12-8(4)10(9)11/h5-6H,1-4H3
InChIKeyDXJIOHURPNIGEC-UHFFFAOYSA-N
MW183.68 g/mol
LogP3.48
Rot. Bonds1

About 3-chloro-2,6-dimethyl-4-propan-2-ylpyridine

3-chloro-2,6-dimethyl-4-propan-2-ylpyridine (PubChem CID 161364296) has the molecular formula C10H14ClN and a molecular weight of 183.68 g/mol. Its IUPAC name is 3-chloro-2,6-dimethyl-4-propan-2-ylpyridine.

Molecular Properties

Compound Name3-chloro-2,6-dimethyl-4-propan-2-ylpyridine
PubChem CID161364296
Molecular FormulaC10H14ClN
Molecular Weight183.68 g/mol
Exact Mass183.08
IUPAC Name3-chloro-2,6-dimethyl-4-propan-2-ylpyridine
SMILESCc1cc(C(C)C)c(Cl)c(C)n1
InChIInChI=1S/C10H14ClN/c1-6(2)9-5-7(3)12-8(4)10(9)11/h5-6H,1-4H3
InChIKeyDXJIOHURPNIGEC-UHFFFAOYSA-N
XLogP3.48
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.68
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2,6-dimethyl-4-propan-2-ylpyridine?
The IUPAC name of 3-chloro-2,6-dimethyl-4-propan-2-ylpyridine (CID 161364296) is 3-chloro-2,6-dimethyl-4-propan-2-ylpyridine.
What is the SMILES notation for 3-chloro-2,6-dimethyl-4-propan-2-ylpyridine?
The canonical SMILES for 3-chloro-2,6-dimethyl-4-propan-2-ylpyridine is Cc1cc(C(C)C)c(Cl)c(C)n1.
What is the InChIKey of 3-chloro-2,6-dimethyl-4-propan-2-ylpyridine?
The InChIKey is DXJIOHURPNIGEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN/c1-6(2)9-5-7(3)12-8(4)10(9)11/h5-6H,1-4H3.
What are the key properties of 3-chloro-2,6-dimethyl-4-propan-2-ylpyridine?
3-chloro-2,6-dimethyl-4-propan-2-ylpyridine has a molecular weight of 183.68 g/mol, XLogP of 3.48, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2,6-dimethyl-4-propan-2-ylpyridine is sourced from PubChem (CID 161364296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).