methyl 6-chloro-2-piperidin-1-ylpyridine-3-carboxylate

C12H15ClN2O2 — CID 167159073

IUPACmethyl 6-chloro-2-piperidin-1-ylpyridine-3-carboxylate
SMILESCOC(=O)c1ccc(Cl)nc1N1CCCCC1
InChIInChI=1S/C12H15ClN2O2/c1-17-12(16)9-5-6-10(13)14-11(9)15-7-3-2-4-8-15/h5-6H,2-4,7-8H2,1H3
InChIKeyZMGYPNVYBCZEEF-UHFFFAOYSA-N
MW254.72 g/mol
LogP2.51
Rot. Bonds2

About methyl 6-chloro-2-piperidin-1-ylpyridine-3-carboxylate

methyl 6-chloro-2-piperidin-1-ylpyridine-3-carboxylate (PubChem CID 167159073) has the molecular formula C12H15ClN2O2 and a molecular weight of 254.72 g/mol. Its IUPAC name is methyl 6-chloro-2-piperidin-1-ylpyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-chloro-2-piperidin-1-ylpyridine-3-carboxylate
PubChem CID167159073
Molecular FormulaC12H15ClN2O2
Molecular Weight254.72 g/mol
Exact Mass254.08
IUPAC Namemethyl 6-chloro-2-piperidin-1-ylpyridine-3-carboxylate
SMILESCOC(=O)c1ccc(Cl)nc1N1CCCCC1
InChIInChI=1S/C12H15ClN2O2/c1-17-12(16)9-5-6-10(13)14-11(9)15-7-3-2-4-8-15/h5-6H,2-4,7-8H2,1H3
InChIKeyZMGYPNVYBCZEEF-UHFFFAOYSA-N
XLogP2.51
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

methyl 6-chloro-2-pyrrolidin-1-ylpyridine-3-carboxylate
CID 167311278
6-chloro-2-(4,4-dimethylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 63380421
methyl 1-(azepan-1-yl)isoquinoline-4-carboxylate
CID 15998604
6-chloro-3-fluoro-2-piperidin-1-ylpyridine
CID 123272498
methyl 6-(5,6-dimethoxybenzimidazol-1-yl)-2-pyrrolidin-1-ylpyridine-3-carboxylate
CID 168991421
tert-butyl 4-(6-chloro-3-ethoxycarbonyl-2-pyridinyl)piperazine-1-carboxylate
CID 58229542
6-chloro-N-cyclohexyl-2-morpholin-4-ylpyridine-3-carboxamide
CID 59830624
2-(3-carbamoylpiperidin-1-yl)-6-chloropyridine-3-carboxylic acid
CID 63376854
methyl 6-chloro-2-(difluoromethyl)pyridine-3-carboxylate
CID 130095660
methyl 6-chloro-2-(2,3,4,5,6-pentachlorophenyl)pyridine-3-carboxylate
CID 134637790
methyl 6-chloro-2-pyrrolidin-1-ylpyrimidine-4-carboxylate
CID 87349798
methyl 6-cyclobutyl-2-(4,4-difluoroazepan-1-yl)pyridine-3-carboxylate
CID 146525996

Frequently Asked Questions

What is the IUPAC name of methyl 6-chloro-2-piperidin-1-ylpyridine-3-carboxylate?
The IUPAC name of methyl 6-chloro-2-piperidin-1-ylpyridine-3-carboxylate (CID 167159073) is methyl 6-chloro-2-piperidin-1-ylpyridine-3-carboxylate.
What is the SMILES notation for methyl 6-chloro-2-piperidin-1-ylpyridine-3-carboxylate?
The canonical SMILES for methyl 6-chloro-2-piperidin-1-ylpyridine-3-carboxylate is COC(=O)c1ccc(Cl)nc1N1CCCCC1.
What is the InChIKey of methyl 6-chloro-2-piperidin-1-ylpyridine-3-carboxylate?
The InChIKey is ZMGYPNVYBCZEEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O2/c1-17-12(16)9-5-6-10(13)14-11(9)15-7-3-2-4-8-15/h5-6H,2-4,7-8H2,1H3.
What are the key properties of methyl 6-chloro-2-piperidin-1-ylpyridine-3-carboxylate?
methyl 6-chloro-2-piperidin-1-ylpyridine-3-carboxylate has a molecular weight of 254.72 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-chloro-2-piperidin-1-ylpyridine-3-carboxylate is sourced from PubChem (CID 167159073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).