2-methoxy-6-[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]pyridine-4-carboxylic acid

C18H19NO5 — CID 66835489

IUPAC2-methoxy-6-[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]pyridine-4-carboxylic acid
SMILESCOc1cc(C(=O)O)cc(-c2ccc(C(=O)OC(C)(C)C)cc2)n1
InChIInChI=1S/C18H19NO5/c1-18(2,3)24-17(22)12-7-5-11(6-8-12)14-9-13(16(20)21)10-15(19-14)23-4/h5-10H,1-4H3,(H,20,21)
InChIKeyQSMNPQNQLGVTIP-UHFFFAOYSA-N
MW329.35 g/mol
LogP3.41
Rot. Bonds4

About 2-methoxy-6-[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]pyridine-4-carboxylic acid

2-methoxy-6-[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]pyridine-4-carboxylic acid (PubChem CID 66835489) has the molecular formula C18H19NO5 and a molecular weight of 329.35 g/mol. Its IUPAC name is 2-methoxy-6-[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-methoxy-6-[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]pyridine-4-carboxylic acid
PubChem CID66835489
Molecular FormulaC18H19NO5
Molecular Weight329.35 g/mol
Exact Mass329.13
IUPAC Name2-methoxy-6-[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]pyridine-4-carboxylic acid
SMILESCOc1cc(C(=O)O)cc(-c2ccc(C(=O)OC(C)(C)C)cc2)n1
InChIInChI=1S/C18H19NO5/c1-18(2,3)24-17(22)12-7-5-11(6-8-12)14-9-13(16(20)21)10-15(19-14)23-4/h5-10H,1-4H3,(H,20,21)
InChIKeyQSMNPQNQLGVTIP-UHFFFAOYSA-N
XLogP3.41
TPSA85.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methoxy-6-[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]pyridine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 673734
CID 673734
CID 1130354
CID 1130354
CID 676325
CID 676325
CID 138394697
CID 138394697
CID 1913233
CID 1913233
CID 2083607
CID 2083607
CID 9976757
CID 9976757
CID 10046878
CID 10046878
CID 10091738
CID 10091738
CID 10340408
CID 10340408
CID 10341242
CID 10341242
CID 10407131
CID 10407131

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]pyridine-4-carboxylic acid?
The IUPAC name of 2-methoxy-6-[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]pyridine-4-carboxylic acid (CID 66835489) is 2-methoxy-6-[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-methoxy-6-[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-methoxy-6-[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]pyridine-4-carboxylic acid is COc1cc(C(=O)O)cc(-c2ccc(C(=O)OC(C)(C)C)cc2)n1.
What is the InChIKey of 2-methoxy-6-[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]pyridine-4-carboxylic acid?
The InChIKey is QSMNPQNQLGVTIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO5/c1-18(2,3)24-17(22)12-7-5-11(6-8-12)14-9-13(16(20)21)10-15(19-14)23-4/h5-10H,1-4H3,(H,20,21).
What are the key properties of 2-methoxy-6-[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]pyridine-4-carboxylic acid?
2-methoxy-6-[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]pyridine-4-carboxylic acid has a molecular weight of 329.35 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 66835489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).