methyl 3-chloro-6-(3-chloro-4,5-dihydro-1,2-oxazol-5-yl)-4-(methylamino)pyridine-2-carboxylate

C11H11Cl2N3O3 — CID 138595153

IUPACmethyl 3-chloro-6-(3-chloro-4,5-dihydro-1,2-oxazol-5-yl)-4-(methylamino)pyridine-2-carboxylate
SMILESCNc1cc(C2CC(Cl)=NO2)nc(C(=O)OC)c1Cl
InChIInChI=1S/C11H11Cl2N3O3/c1-14-6-3-5(7-4-8(12)16-19-7)15-10(9(6)13)11(17)18-2/h3,7H,4H2,1-2H3,(H,14,15)
InChIKeyYBEHGSNUMLRGDL-UHFFFAOYSA-N
MW304.13 g/mol
LogP2.58
Rot. Bonds3

About methyl 3-chloro-6-(3-chloro-4,5-dihydro-1,2-oxazol-5-yl)-4-(methylamino)pyridine-2-carboxylate

methyl 3-chloro-6-(3-chloro-4,5-dihydro-1,2-oxazol-5-yl)-4-(methylamino)pyridine-2-carboxylate (PubChem CID 138595153) has the molecular formula C11H11Cl2N3O3 and a molecular weight of 304.13 g/mol. Its IUPAC name is methyl 3-chloro-6-(3-chloro-4,5-dihydro-1,2-oxazol-5-yl)-4-(methylamino)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-chloro-6-(3-chloro-4,5-dihydro-1,2-oxazol-5-yl)-4-(methylamino)pyridine-2-carboxylate
PubChem CID138595153
Molecular FormulaC11H11Cl2N3O3
Molecular Weight304.13 g/mol
Exact Mass303.02
IUPAC Namemethyl 3-chloro-6-(3-chloro-4,5-dihydro-1,2-oxazol-5-yl)-4-(methylamino)pyridine-2-carboxylate
SMILESCNc1cc(C2CC(Cl)=NO2)nc(C(=O)OC)c1Cl
InChIInChI=1S/C11H11Cl2N3O3/c1-14-6-3-5(7-4-8(12)16-19-7)15-10(9(6)13)11(17)18-2/h3,7H,4H2,1-2H3,(H,14,15)
InChIKeyYBEHGSNUMLRGDL-UHFFFAOYSA-N
XLogP2.58
TPSA72.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.13
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 3-chloro-6-(3-chloro-4,5-dihydro-1,2-oxazol-5-yl)-4-(methylamino)pyridine-2-carboxylate with MolForge

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Related Compounds

methyl 3-chloro-4-(methylamino)-6-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)pyridine-2-carboxylate
CID 138617598
methyl 4-amino-3-chloro-6-[3-(trifluoromethyl)-4,5-dihydro-1,2-oxazol-5-yl]pyridine-2-carboxylate
CID 138594808
methyl 4-acetamido-3-chloro-6-methylpyridine-2-carboxylate
CID 123968717
methyl 4-amino-3-chloro-6-[4-chloro-2-fluoro-3-(methylamino)phenyl]pyridine-2-carboxylate
CID 68598377
methyl 3-chloro-4-methoxy-6-methylpyridine-2-carboxylate
CID 142574242
(4-methylphenyl)methyl 4-amino-6-(3-bromo-4,5-dihydro-1,2-oxazol-5-yl)-3-chloropyridine-2-carboxylate
CID 138594973
methyl 4-acetamido-3-chloro-6-(4-fluoro-1,3-benzodioxol-5-yl)pyridine-2-carboxylate
CID 68810120
CID 141403656
CID 141403656
methyl 4-acetamido-6-(3-bromo-5-methyl-4H-1,2-oxazol-5-yl)-3-chloropyridine-2-carboxylate
CID 138594937
methyl 4-acetamido-3-chloro-6-[4-chloro-2-fluoro-3-(1-fluoroethyl)phenyl]pyridine-2-carboxylate
CID 142760620
methyl 5-chloro-6-(methylamino)-2-oxo-1H-pyrazine-3-carboxylate
CID 170905017
CID 147920792
CID 147920792

Frequently Asked Questions

What is the IUPAC name of methyl 3-chloro-6-(3-chloro-4,5-dihydro-1,2-oxazol-5-yl)-4-(methylamino)pyridine-2-carboxylate?
The IUPAC name of methyl 3-chloro-6-(3-chloro-4,5-dihydro-1,2-oxazol-5-yl)-4-(methylamino)pyridine-2-carboxylate (CID 138595153) is methyl 3-chloro-6-(3-chloro-4,5-dihydro-1,2-oxazol-5-yl)-4-(methylamino)pyridine-2-carboxylate.
What is the SMILES notation for methyl 3-chloro-6-(3-chloro-4,5-dihydro-1,2-oxazol-5-yl)-4-(methylamino)pyridine-2-carboxylate?
The canonical SMILES for methyl 3-chloro-6-(3-chloro-4,5-dihydro-1,2-oxazol-5-yl)-4-(methylamino)pyridine-2-carboxylate is CNc1cc(C2CC(Cl)=NO2)nc(C(=O)OC)c1Cl.
What is the InChIKey of methyl 3-chloro-6-(3-chloro-4,5-dihydro-1,2-oxazol-5-yl)-4-(methylamino)pyridine-2-carboxylate?
The InChIKey is YBEHGSNUMLRGDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2N3O3/c1-14-6-3-5(7-4-8(12)16-19-7)15-10(9(6)13)11(17)18-2/h3,7H,4H2,1-2H3,(H,14,15).
What are the key properties of methyl 3-chloro-6-(3-chloro-4,5-dihydro-1,2-oxazol-5-yl)-4-(methylamino)pyridine-2-carboxylate?
methyl 3-chloro-6-(3-chloro-4,5-dihydro-1,2-oxazol-5-yl)-4-(methylamino)pyridine-2-carboxylate has a molecular weight of 304.13 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-chloro-6-(3-chloro-4,5-dihydro-1,2-oxazol-5-yl)-4-(methylamino)pyridine-2-carboxylate is sourced from PubChem (CID 138595153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).