methyl 4-chloro-6-(4-methylpiperazin-1-yl)pyridine-2-carboxylate

C12H16ClN3O2 — CID 67057603

IUPACmethyl 4-chloro-6-(4-methylpiperazin-1-yl)pyridine-2-carboxylate
SMILESCOC(=O)c1cc(Cl)cc(N2CCN(C)CC2)n1
InChIInChI=1S/C12H16ClN3O2/c1-15-3-5-16(6-4-15)11-8-9(13)7-10(14-11)12(17)18-2/h7-8H,3-6H2,1-2H3
InChIKeyLRFJBBIZTZYTQJ-UHFFFAOYSA-N
MW269.73 g/mol
LogP1.27
Rot. Bonds2

About methyl 4-chloro-6-(4-methylpiperazin-1-yl)pyridine-2-carboxylate

methyl 4-chloro-6-(4-methylpiperazin-1-yl)pyridine-2-carboxylate (PubChem CID 67057603) has the molecular formula C12H16ClN3O2 and a molecular weight of 269.73 g/mol. Its IUPAC name is methyl 4-chloro-6-(4-methylpiperazin-1-yl)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-chloro-6-(4-methylpiperazin-1-yl)pyridine-2-carboxylate
PubChem CID67057603
Molecular FormulaC12H16ClN3O2
Molecular Weight269.73 g/mol
Exact Mass269.09
IUPAC Namemethyl 4-chloro-6-(4-methylpiperazin-1-yl)pyridine-2-carboxylate
SMILESCOC(=O)c1cc(Cl)cc(N2CCN(C)CC2)n1
InChIInChI=1S/C12H16ClN3O2/c1-15-3-5-16(6-4-15)11-8-9(13)7-10(14-11)12(17)18-2/h7-8H,3-6H2,1-2H3
InChIKeyLRFJBBIZTZYTQJ-UHFFFAOYSA-N
XLogP1.27
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-6-(4-methylpiperazin-1-yl)pyridine-2-carboxylate?
The IUPAC name of methyl 4-chloro-6-(4-methylpiperazin-1-yl)pyridine-2-carboxylate (CID 67057603) is methyl 4-chloro-6-(4-methylpiperazin-1-yl)pyridine-2-carboxylate.
What is the SMILES notation for methyl 4-chloro-6-(4-methylpiperazin-1-yl)pyridine-2-carboxylate?
The canonical SMILES for methyl 4-chloro-6-(4-methylpiperazin-1-yl)pyridine-2-carboxylate is COC(=O)c1cc(Cl)cc(N2CCN(C)CC2)n1.
What is the InChIKey of methyl 4-chloro-6-(4-methylpiperazin-1-yl)pyridine-2-carboxylate?
The InChIKey is LRFJBBIZTZYTQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O2/c1-15-3-5-16(6-4-15)11-8-9(13)7-10(14-11)12(17)18-2/h7-8H,3-6H2,1-2H3.
What are the key properties of methyl 4-chloro-6-(4-methylpiperazin-1-yl)pyridine-2-carboxylate?
methyl 4-chloro-6-(4-methylpiperazin-1-yl)pyridine-2-carboxylate has a molecular weight of 269.73 g/mol, XLogP of 1.27, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-6-(4-methylpiperazin-1-yl)pyridine-2-carboxylate is sourced from PubChem (CID 67057603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).