methyl 5-[(3-chlorophenyl)methyl-methylamino]pyridine-2-carboxylate

C15H15ClN2O2 — CID 12640244

IUPACmethyl 5-[(3-chlorophenyl)methyl-methylamino]pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(N(C)Cc2cccc(Cl)c2)cn1
InChIInChI=1S/C15H15ClN2O2/c1-18(10-11-4-3-5-12(16)8-11)13-6-7-14(17-9-13)15(19)20-2/h3-9H,10H2,1-2H3
InChIKeyPSPWNPDESNEYCT-UHFFFAOYSA-N
MW290.75 g/mol
LogP3.16
Rot. Bonds4

About methyl 5-[(3-chlorophenyl)methyl-methylamino]pyridine-2-carboxylate

methyl 5-[(3-chlorophenyl)methyl-methylamino]pyridine-2-carboxylate (PubChem CID 12640244) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is methyl 5-[(3-chlorophenyl)methyl-methylamino]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(3-chlorophenyl)methyl-methylamino]pyridine-2-carboxylate
PubChem CID12640244
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC Namemethyl 5-[(3-chlorophenyl)methyl-methylamino]pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(N(C)Cc2cccc(Cl)c2)cn1
InChIInChI=1S/C15H15ClN2O2/c1-18(10-11-4-3-5-12(16)8-11)13-6-7-14(17-9-13)15(19)20-2/h3-9H,10H2,1-2H3
InChIKeyPSPWNPDESNEYCT-UHFFFAOYSA-N
XLogP3.16
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[(3-chlorophenyl)methyl-methylamino]pyridine-2-carboxylate?
The IUPAC name of methyl 5-[(3-chlorophenyl)methyl-methylamino]pyridine-2-carboxylate (CID 12640244) is methyl 5-[(3-chlorophenyl)methyl-methylamino]pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-[(3-chlorophenyl)methyl-methylamino]pyridine-2-carboxylate?
The canonical SMILES for methyl 5-[(3-chlorophenyl)methyl-methylamino]pyridine-2-carboxylate is COC(=O)c1ccc(N(C)Cc2cccc(Cl)c2)cn1.
What is the InChIKey of methyl 5-[(3-chlorophenyl)methyl-methylamino]pyridine-2-carboxylate?
The InChIKey is PSPWNPDESNEYCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c1-18(10-11-4-3-5-12(16)8-11)13-6-7-14(17-9-13)15(19)20-2/h3-9H,10H2,1-2H3.
What are the key properties of methyl 5-[(3-chlorophenyl)methyl-methylamino]pyridine-2-carboxylate?
methyl 5-[(3-chlorophenyl)methyl-methylamino]pyridine-2-carboxylate has a molecular weight of 290.75 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(3-chlorophenyl)methyl-methylamino]pyridine-2-carboxylate is sourced from PubChem (CID 12640244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).