methyl 5-chloro-6-piperazin-1-ylpyridine-3-carboxylate;hydrochloride

C11H15Cl2N3O2 — CID 146013833

IUPACmethyl 5-chloro-6-piperazin-1-ylpyridine-3-carboxylate;hydrochloride
SMILESCOC(=O)c1cnc(N2CCNCC2)c(Cl)c1.Cl
InChIInChI=1S/C11H14ClN3O2.ClH/c1-17-11(16)8-6-9(12)10(14-7-8)15-4-2-13-3-5-15;/h6-7,13H,2-5H2,1H3;1H
InChIKeyFZUCVSFMLCXCPZ-UHFFFAOYSA-N
MW292.17 g/mol
LogP1.35
Rot. Bonds2

About methyl 5-chloro-6-piperazin-1-ylpyridine-3-carboxylate;hydrochloride

methyl 5-chloro-6-piperazin-1-ylpyridine-3-carboxylate;hydrochloride (PubChem CID 146013833) has the molecular formula C11H15Cl2N3O2 and a molecular weight of 292.17 g/mol. Its IUPAC name is methyl 5-chloro-6-piperazin-1-ylpyridine-3-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 5-chloro-6-piperazin-1-ylpyridine-3-carboxylate;hydrochloride
PubChem CID146013833
Molecular FormulaC11H15Cl2N3O2
Molecular Weight292.17 g/mol
Exact Mass291.05
IUPAC Namemethyl 5-chloro-6-piperazin-1-ylpyridine-3-carboxylate;hydrochloride
SMILESCOC(=O)c1cnc(N2CCNCC2)c(Cl)c1.Cl
InChIInChI=1S/C11H14ClN3O2.ClH/c1-17-11(16)8-6-9(12)10(14-7-8)15-4-2-13-3-5-15;/h6-7,13H,2-5H2,1H3;1H
InChIKeyFZUCVSFMLCXCPZ-UHFFFAOYSA-N
XLogP1.35
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.17
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 5-chloro-6-piperazin-1-ylpyridine-3-carboxylate;hydrochloride?
The IUPAC name of methyl 5-chloro-6-piperazin-1-ylpyridine-3-carboxylate;hydrochloride (CID 146013833) is methyl 5-chloro-6-piperazin-1-ylpyridine-3-carboxylate;hydrochloride.
What is the SMILES notation for methyl 5-chloro-6-piperazin-1-ylpyridine-3-carboxylate;hydrochloride?
The canonical SMILES for methyl 5-chloro-6-piperazin-1-ylpyridine-3-carboxylate;hydrochloride is COC(=O)c1cnc(N2CCNCC2)c(Cl)c1.Cl.
What is the InChIKey of methyl 5-chloro-6-piperazin-1-ylpyridine-3-carboxylate;hydrochloride?
The InChIKey is FZUCVSFMLCXCPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O2.ClH/c1-17-11(16)8-6-9(12)10(14-7-8)15-4-2-13-3-5-15;/h6-7,13H,2-5H2,1H3;1H.
What are the key properties of methyl 5-chloro-6-piperazin-1-ylpyridine-3-carboxylate;hydrochloride?
methyl 5-chloro-6-piperazin-1-ylpyridine-3-carboxylate;hydrochloride has a molecular weight of 292.17 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-chloro-6-piperazin-1-ylpyridine-3-carboxylate;hydrochloride is sourced from PubChem (CID 146013833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).