methyl 2-chloro-6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-4-carboxylate

C12H15ClN2O4 — CID 146241727

IUPACmethyl 2-chloro-6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-4-carboxylate
SMILESCOC(=O)c1cc(Cl)nc(NC(=O)OC(C)(C)C)c1
InChIInChI=1S/C12H15ClN2O4/c1-12(2,3)19-11(17)15-9-6-7(10(16)18-4)5-8(13)14-9/h5-6H,1-4H3,(H,14,15,17)
InChIKeyRQJHQDWNHKTXLA-UHFFFAOYSA-N
MW286.72 g/mol
LogP2.87
Rot. Bonds2

About methyl 2-chloro-6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-4-carboxylate

methyl 2-chloro-6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-4-carboxylate (PubChem CID 146241727) has the molecular formula C12H15ClN2O4 and a molecular weight of 286.72 g/mol. Its IUPAC name is methyl 2-chloro-6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-chloro-6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-4-carboxylate
PubChem CID146241727
Molecular FormulaC12H15ClN2O4
Molecular Weight286.72 g/mol
Exact Mass286.07
IUPAC Namemethyl 2-chloro-6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-4-carboxylate
SMILESCOC(=O)c1cc(Cl)nc(NC(=O)OC(C)(C)C)c1
InChIInChI=1S/C12H15ClN2O4/c1-12(2,3)19-11(17)15-9-6-7(10(16)18-4)5-8(13)14-9/h5-6H,1-4H3,(H,14,15,17)
InChIKeyRQJHQDWNHKTXLA-UHFFFAOYSA-N
XLogP2.87
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.72
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-(6-chloro-2-methoxypyrimidin-4-yl)carbamate
CID 144985934
methyl 2-chloro-6-methylpyridine-4-carboxylate
CID 2759833
ethane;methyl 2-chloro-6-methylpyridine-4-carboxylate
CID 142241895
tert-butyl 4-(6-chloro-4-methoxycarbonyl-2-pyridinyl)piperazine-1-carboxylate
CID 58229586
methyl 2-(benzylamino)-6-chloropyridine-4-carboxylate
CID 87562356
methyl 3,4-difluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate
CID 177331943
methyl 4-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridazin-3-yl]amino]benzoate
CID 113049504
tert-butyl N-(6-chloropyridazin-3-yl)carbamate
CID 57415766
methyl 5-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylate
CID 142212585
tert-butyl N-(5-bromo-6-chloro-3-hydroxy-2-pyridinyl)carbamate
CID 71743183
tert-butyl N-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazin-2-yl]carbamate
CID 11012344
methyl 2-chloro-6-[[(2S,4R)-4-fluoropyrrolidine-2-carbonyl]amino]pyridine-4-carboxylate
CID 126623338

Frequently Asked Questions

What is the IUPAC name of methyl 2-chloro-6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-4-carboxylate?
The IUPAC name of methyl 2-chloro-6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-4-carboxylate (CID 146241727) is methyl 2-chloro-6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-4-carboxylate.
What is the SMILES notation for methyl 2-chloro-6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-4-carboxylate?
The canonical SMILES for methyl 2-chloro-6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-4-carboxylate is COC(=O)c1cc(Cl)nc(NC(=O)OC(C)(C)C)c1.
What is the InChIKey of methyl 2-chloro-6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-4-carboxylate?
The InChIKey is RQJHQDWNHKTXLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O4/c1-12(2,3)19-11(17)15-9-6-7(10(16)18-4)5-8(13)14-9/h5-6H,1-4H3,(H,14,15,17).
What are the key properties of methyl 2-chloro-6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-4-carboxylate?
methyl 2-chloro-6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-4-carboxylate has a molecular weight of 286.72 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-chloro-6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-4-carboxylate is sourced from PubChem (CID 146241727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).