methyl 6-[(4-chloro-2-methylphenoxy)methyl]pyridine-2-carboxylate

C15H14ClNO3 — CID 155153758

IUPACmethyl 6-[(4-chloro-2-methylphenoxy)methyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(COc2ccc(Cl)cc2C)n1
InChIInChI=1S/C15H14ClNO3/c1-10-8-11(16)6-7-14(10)20-9-12-4-3-5-13(17-12)15(18)19-2/h3-8H,9H2,1-2H3
InChIKeyACZABWBNHLOKOC-UHFFFAOYSA-N
MW291.73 g/mol
LogP3.41
Rot. Bonds4

About methyl 6-[(4-chloro-2-methylphenoxy)methyl]pyridine-2-carboxylate

methyl 6-[(4-chloro-2-methylphenoxy)methyl]pyridine-2-carboxylate (PubChem CID 155153758) has the molecular formula C15H14ClNO3 and a molecular weight of 291.73 g/mol. Its IUPAC name is methyl 6-[(4-chloro-2-methylphenoxy)methyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[(4-chloro-2-methylphenoxy)methyl]pyridine-2-carboxylate
PubChem CID155153758
Molecular FormulaC15H14ClNO3
Molecular Weight291.73 g/mol
Exact Mass291.07
IUPAC Namemethyl 6-[(4-chloro-2-methylphenoxy)methyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(COc2ccc(Cl)cc2C)n1
InChIInChI=1S/C15H14ClNO3/c1-10-8-11(16)6-7-14(10)20-9-12-4-3-5-13(17-12)15(18)19-2/h3-8H,9H2,1-2H3
InChIKeyACZABWBNHLOKOC-UHFFFAOYSA-N
XLogP3.41
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.73
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 6-[(4-chloro-2-methylphenoxy)methyl]pyridine-2-carboxylate?
The IUPAC name of methyl 6-[(4-chloro-2-methylphenoxy)methyl]pyridine-2-carboxylate (CID 155153758) is methyl 6-[(4-chloro-2-methylphenoxy)methyl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-[(4-chloro-2-methylphenoxy)methyl]pyridine-2-carboxylate?
The canonical SMILES for methyl 6-[(4-chloro-2-methylphenoxy)methyl]pyridine-2-carboxylate is COC(=O)c1cccc(COc2ccc(Cl)cc2C)n1.
What is the InChIKey of methyl 6-[(4-chloro-2-methylphenoxy)methyl]pyridine-2-carboxylate?
The InChIKey is ACZABWBNHLOKOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO3/c1-10-8-11(16)6-7-14(10)20-9-12-4-3-5-13(17-12)15(18)19-2/h3-8H,9H2,1-2H3.
What are the key properties of methyl 6-[(4-chloro-2-methylphenoxy)methyl]pyridine-2-carboxylate?
methyl 6-[(4-chloro-2-methylphenoxy)methyl]pyridine-2-carboxylate has a molecular weight of 291.73 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(4-chloro-2-methylphenoxy)methyl]pyridine-2-carboxylate is sourced from PubChem (CID 155153758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).