tert-butyl 4-chloro-2-cyclopentyl-6-methyl-2H-pyridine-1-carboxylate

C16H24ClNO2 — CID 22620178

IUPACtert-butyl 4-chloro-2-cyclopentyl-6-methyl-2H-pyridine-1-carboxylate
SMILESCC1=CC(Cl)=CC(C2CCCC2)N1C(=O)OC(C)(C)C
InChIInChI=1S/C16H24ClNO2/c1-11-9-13(17)10-14(12-7-5-6-8-12)18(11)15(19)20-16(2,3)4/h9-10,12,14H,5-8H2,1-4H3
InChIKeyAJDVDLYRDKUYQD-UHFFFAOYSA-N
MW297.83 g/mol
LogP4.82
Rot. Bonds1

About tert-butyl 4-chloro-2-cyclopentyl-6-methyl-2H-pyridine-1-carboxylate

tert-butyl 4-chloro-2-cyclopentyl-6-methyl-2H-pyridine-1-carboxylate (PubChem CID 22620178) has the molecular formula C16H24ClNO2 and a molecular weight of 297.83 g/mol. Its IUPAC name is tert-butyl 4-chloro-2-cyclopentyl-6-methyl-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-chloro-2-cyclopentyl-6-methyl-2H-pyridine-1-carboxylate
PubChem CID22620178
Molecular FormulaC16H24ClNO2
Molecular Weight297.83 g/mol
Exact Mass297.15
IUPAC Nametert-butyl 4-chloro-2-cyclopentyl-6-methyl-2H-pyridine-1-carboxylate
SMILESCC1=CC(Cl)=CC(C2CCCC2)N1C(=O)OC(C)(C)C
InChIInChI=1S/C16H24ClNO2/c1-11-9-13(17)10-14(12-7-5-6-8-12)18(11)15(19)20-16(2,3)4/h9-10,12,14H,5-8H2,1-4H3
InChIKeyAJDVDLYRDKUYQD-UHFFFAOYSA-N
XLogP4.82
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-chloro-2-cyclopentyl-6-methyl-2H-pyridine-1-carboxylate?
The IUPAC name of tert-butyl 4-chloro-2-cyclopentyl-6-methyl-2H-pyridine-1-carboxylate (CID 22620178) is tert-butyl 4-chloro-2-cyclopentyl-6-methyl-2H-pyridine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-chloro-2-cyclopentyl-6-methyl-2H-pyridine-1-carboxylate?
The canonical SMILES for tert-butyl 4-chloro-2-cyclopentyl-6-methyl-2H-pyridine-1-carboxylate is CC1=CC(Cl)=CC(C2CCCC2)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 4-chloro-2-cyclopentyl-6-methyl-2H-pyridine-1-carboxylate?
The InChIKey is AJDVDLYRDKUYQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO2/c1-11-9-13(17)10-14(12-7-5-6-8-12)18(11)15(19)20-16(2,3)4/h9-10,12,14H,5-8H2,1-4H3.
What are the key properties of tert-butyl 4-chloro-2-cyclopentyl-6-methyl-2H-pyridine-1-carboxylate?
tert-butyl 4-chloro-2-cyclopentyl-6-methyl-2H-pyridine-1-carboxylate has a molecular weight of 297.83 g/mol, XLogP of 4.82, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-chloro-2-cyclopentyl-6-methyl-2H-pyridine-1-carboxylate is sourced from PubChem (CID 22620178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).