methyl 6-(1,2,3,6-tetrahydropyridin-4-yl)pyridine-2-carboxylate

C12H14N2O2 — CID 58296095

IUPACmethyl 6-(1,2,3,6-tetrahydropyridin-4-yl)pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(C2=CCNCC2)n1
InChIInChI=1S/C12H14N2O2/c1-16-12(15)11-4-2-3-10(14-11)9-5-7-13-8-6-9/h2-5,13H,6-8H2,1H3
InChIKeyMKPBHOSOLDZPJZ-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.24
Rot. Bonds2

About methyl 6-(1,2,3,6-tetrahydropyridin-4-yl)pyridine-2-carboxylate

methyl 6-(1,2,3,6-tetrahydropyridin-4-yl)pyridine-2-carboxylate (PubChem CID 58296095) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is methyl 6-(1,2,3,6-tetrahydropyridin-4-yl)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-(1,2,3,6-tetrahydropyridin-4-yl)pyridine-2-carboxylate
PubChem CID58296095
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Namemethyl 6-(1,2,3,6-tetrahydropyridin-4-yl)pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(C2=CCNCC2)n1
InChIInChI=1S/C12H14N2O2/c1-16-12(15)11-4-2-3-10(14-11)9-5-7-13-8-6-9/h2-5,13H,6-8H2,1H3
InChIKeyMKPBHOSOLDZPJZ-UHFFFAOYSA-N
XLogP1.24
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 6-acetylpyridine-2-carboxylate
CID 11412711
methyl 6-pyridin-4-ylpyridine-2-carboxylate
CID 46317482
methyl 6-(2-methylphenyl)pyridine-2-carboxylate
CID 117222230
methyl 6-(5-methyl-1H-pyrazol-4-yl)pyridine-2-carboxylate
CID 118173164
4-[6-(1,2,3,6-tetrahydropyridin-4-yl)-2-pyridinyl]-1,3,2,4-dioxathiazetidine
CID 66612740
methyl 6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxylate
CID 66666760
methyl 6-(piperidin-4-ylamino)pyridine-2-carboxylate
CID 83841955
methyl 6-(1H-benzimidazol-2-yl)pyridine-2-carboxylate
CID 68519685
6-methoxy-N-methyl-5-(1,2,3,6-tetrahydropyridin-4-yl)pyridine-2-carboxamide
CID 171776724
methyl 6-(2-hydroxyethyl)pyridine-2-carboxylate
CID 55267203
methyl 3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole-5-carboxylate
CID 21469433
2-piperidin-1-yl-6-(1,2,3,6-tetrahydropyridin-4-yl)pyridine;hydrochloride
CID 135366400

Frequently Asked Questions

What is the IUPAC name of methyl 6-(1,2,3,6-tetrahydropyridin-4-yl)pyridine-2-carboxylate?
The IUPAC name of methyl 6-(1,2,3,6-tetrahydropyridin-4-yl)pyridine-2-carboxylate (CID 58296095) is methyl 6-(1,2,3,6-tetrahydropyridin-4-yl)pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-(1,2,3,6-tetrahydropyridin-4-yl)pyridine-2-carboxylate?
The canonical SMILES for methyl 6-(1,2,3,6-tetrahydropyridin-4-yl)pyridine-2-carboxylate is COC(=O)c1cccc(C2=CCNCC2)n1.
What is the InChIKey of methyl 6-(1,2,3,6-tetrahydropyridin-4-yl)pyridine-2-carboxylate?
The InChIKey is MKPBHOSOLDZPJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-16-12(15)11-4-2-3-10(14-11)9-5-7-13-8-6-9/h2-5,13H,6-8H2,1H3.
What are the key properties of methyl 6-(1,2,3,6-tetrahydropyridin-4-yl)pyridine-2-carboxylate?
methyl 6-(1,2,3,6-tetrahydropyridin-4-yl)pyridine-2-carboxylate has a molecular weight of 218.26 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(1,2,3,6-tetrahydropyridin-4-yl)pyridine-2-carboxylate is sourced from PubChem (CID 58296095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).