(4-methoxyphenyl)methyl pyridine-4-carboxylate

C14H13NO3 — CID 533046

IUPAC(4-methoxyphenyl)methyl pyridine-4-carboxylate
SMILESCOc1ccc(COC(=O)c2ccncc2)cc1
InChIInChI=1S/C14H13NO3/c1-17-13-4-2-11(3-5-13)10-18-14(16)12-6-8-15-9-7-12/h2-9H,10H2,1H3
InChIKeyNRGHOBLIKFVENI-UHFFFAOYSA-N
MW243.26 g/mol
LogP2.45
Rot. Bonds4

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

(4-methoxyphenyl)methyl pyridine-4-carboxylate (PubChem CID 533046) has the molecular formula C14H13NO3 and a molecular weight of 243.26 g/mol. Its IUPAC name is (4-methoxyphenyl)methyl pyridine-4-carboxylate.

Molecular Properties

Compound Name(4-methoxyphenyl)methyl pyridine-4-carboxylate
PubChem CID533046
Molecular FormulaC14H13NO3
Molecular Weight243.26 g/mol
Exact Mass243.09
IUPAC Name(4-methoxyphenyl)methyl pyridine-4-carboxylate
SMILESCOc1ccc(COC(=O)c2ccncc2)cc1
InChIInChI=1S/C14H13NO3/c1-17-13-4-2-11(3-5-13)10-18-14(16)12-6-8-15-9-7-12/h2-9H,10H2,1H3
InChIKeyNRGHOBLIKFVENI-UHFFFAOYSA-N
XLogP2.45
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)methyl pyridine-4-carboxylate?
The IUPAC name of (4-methoxyphenyl)methyl pyridine-4-carboxylate (CID 533046) is (4-methoxyphenyl)methyl pyridine-4-carboxylate.
What is the SMILES notation for (4-methoxyphenyl)methyl pyridine-4-carboxylate?
The canonical SMILES for (4-methoxyphenyl)methyl pyridine-4-carboxylate is COc1ccc(COC(=O)c2ccncc2)cc1.
What is the InChIKey of (4-methoxyphenyl)methyl pyridine-4-carboxylate?
The InChIKey is NRGHOBLIKFVENI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3/c1-17-13-4-2-11(3-5-13)10-18-14(16)12-6-8-15-9-7-12/h2-9H,10H2,1H3.
What are the key properties of (4-methoxyphenyl)methyl pyridine-4-carboxylate?
(4-methoxyphenyl)methyl pyridine-4-carboxylate has a molecular weight of 243.26 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)methyl pyridine-4-carboxylate is sourced from PubChem (CID 533046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).