methyl 4-(4-methoxyphenyl)pyridine-2-carboxylate

C14H13NO3 — CID 70853509

IUPACmethyl 4-(4-methoxyphenyl)pyridine-2-carboxylate
SMILESCOC(=O)c1cc(-c2ccc(OC)cc2)ccn1
InChIInChI=1S/C14H13NO3/c1-17-12-5-3-10(4-6-12)11-7-8-15-13(9-11)14(16)18-2/h3-9H,1-2H3
InChIKeyRLUYQQUXSOMTFU-UHFFFAOYSA-N
MW243.26 g/mol
LogP2.54
Rot. Bonds3

About methyl 4-(4-methoxyphenyl)pyridine-2-carboxylate

methyl 4-(4-methoxyphenyl)pyridine-2-carboxylate (PubChem CID 70853509) has the molecular formula C14H13NO3 and a molecular weight of 243.26 g/mol. Its IUPAC name is methyl 4-(4-methoxyphenyl)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(4-methoxyphenyl)pyridine-2-carboxylate
PubChem CID70853509
Molecular FormulaC14H13NO3
Molecular Weight243.26 g/mol
Exact Mass243.09
IUPAC Namemethyl 4-(4-methoxyphenyl)pyridine-2-carboxylate
SMILESCOC(=O)c1cc(-c2ccc(OC)cc2)ccn1
InChIInChI=1S/C14H13NO3/c1-17-12-5-3-10(4-6-12)11-7-8-15-13(9-11)14(16)18-2/h3-9H,1-2H3
InChIKeyRLUYQQUXSOMTFU-UHFFFAOYSA-N
XLogP2.54
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(4-methoxyphenyl)pyridine-2-carboxylate?
The IUPAC name of methyl 4-(4-methoxyphenyl)pyridine-2-carboxylate (CID 70853509) is methyl 4-(4-methoxyphenyl)pyridine-2-carboxylate.
What is the SMILES notation for methyl 4-(4-methoxyphenyl)pyridine-2-carboxylate?
The canonical SMILES for methyl 4-(4-methoxyphenyl)pyridine-2-carboxylate is COC(=O)c1cc(-c2ccc(OC)cc2)ccn1.
What is the InChIKey of methyl 4-(4-methoxyphenyl)pyridine-2-carboxylate?
The InChIKey is RLUYQQUXSOMTFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3/c1-17-12-5-3-10(4-6-12)11-7-8-15-13(9-11)14(16)18-2/h3-9H,1-2H3.
What are the key properties of methyl 4-(4-methoxyphenyl)pyridine-2-carboxylate?
methyl 4-(4-methoxyphenyl)pyridine-2-carboxylate has a molecular weight of 243.26 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(4-methoxyphenyl)pyridine-2-carboxylate is sourced from PubChem (CID 70853509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).