2-tert-butyl-3-chloro-6-methoxypyridine

C10H14ClNO — CID 146377381

IUPAC2-tert-butyl-3-chloro-6-methoxypyridine
SMILESCOc1ccc(Cl)c(C(C)(C)C)n1
InChIInChI=1S/C10H14ClNO/c1-10(2,3)9-7(11)5-6-8(12-9)13-4/h5-6H,1-4H3
InChIKeySOWZOTUNZLWPNO-UHFFFAOYSA-N
MW199.68 g/mol
LogP3.04
Rot. Bonds1

About 2-tert-butyl-3-chloro-6-methoxypyridine

2-tert-butyl-3-chloro-6-methoxypyridine (PubChem CID 146377381) has the molecular formula C10H14ClNO and a molecular weight of 199.68 g/mol. Its IUPAC name is 2-tert-butyl-3-chloro-6-methoxypyridine.

Molecular Properties

Compound Name2-tert-butyl-3-chloro-6-methoxypyridine
PubChem CID146377381
Molecular FormulaC10H14ClNO
Molecular Weight199.68 g/mol
Exact Mass199.08
IUPAC Name2-tert-butyl-3-chloro-6-methoxypyridine
SMILESCOc1ccc(Cl)c(C(C)(C)C)n1
InChIInChI=1S/C10H14ClNO/c1-10(2,3)9-7(11)5-6-8(12-9)13-4/h5-6H,1-4H3
InChIKeySOWZOTUNZLWPNO-UHFFFAOYSA-N
XLogP3.04
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.68
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-3-chloro-6-methoxypyridine?
The IUPAC name of 2-tert-butyl-3-chloro-6-methoxypyridine (CID 146377381) is 2-tert-butyl-3-chloro-6-methoxypyridine.
What is the SMILES notation for 2-tert-butyl-3-chloro-6-methoxypyridine?
The canonical SMILES for 2-tert-butyl-3-chloro-6-methoxypyridine is COc1ccc(Cl)c(C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-3-chloro-6-methoxypyridine?
The InChIKey is SOWZOTUNZLWPNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO/c1-10(2,3)9-7(11)5-6-8(12-9)13-4/h5-6H,1-4H3.
What are the key properties of 2-tert-butyl-3-chloro-6-methoxypyridine?
2-tert-butyl-3-chloro-6-methoxypyridine has a molecular weight of 199.68 g/mol, XLogP of 3.04, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-3-chloro-6-methoxypyridine is sourced from PubChem (CID 146377381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).