4-methoxy-6-(3,4,5-trimethoxyphenyl)pyridine-2-carboxylic acid

C16H17NO6 — CID 12785004

IUPAC4-methoxy-6-(3,4,5-trimethoxyphenyl)pyridine-2-carboxylic acid
SMILESCOc1cc(C(=O)O)nc(-c2cc(OC)c(OC)c(OC)c2)c1
InChIInChI=1S/C16H17NO6/c1-20-10-7-11(17-12(8-10)16(18)19)9-5-13(21-2)15(23-4)14(6-9)22-3/h5-8H,1-4H3,(H,18,19)
InChIKeyUPSNIZUBIQNSEM-UHFFFAOYSA-N
MW319.31 g/mol
LogP2.48
Rot. Bonds6

About 4-methoxy-6-(3,4,5-trimethoxyphenyl)pyridine-2-carboxylic acid

4-methoxy-6-(3,4,5-trimethoxyphenyl)pyridine-2-carboxylic acid (PubChem CID 12785004) has the molecular formula C16H17NO6 and a molecular weight of 319.31 g/mol. Its IUPAC name is 4-methoxy-6-(3,4,5-trimethoxyphenyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-methoxy-6-(3,4,5-trimethoxyphenyl)pyridine-2-carboxylic acid
PubChem CID12785004
Molecular FormulaC16H17NO6
Molecular Weight319.31 g/mol
Exact Mass319.11
IUPAC Name4-methoxy-6-(3,4,5-trimethoxyphenyl)pyridine-2-carboxylic acid
SMILESCOc1cc(C(=O)O)nc(-c2cc(OC)c(OC)c(OC)c2)c1
InChIInChI=1S/C16H17NO6/c1-20-10-7-11(17-12(8-10)16(18)19)9-5-13(21-2)15(23-4)14(6-9)22-3/h5-8H,1-4H3,(H,18,19)
InChIKeyUPSNIZUBIQNSEM-UHFFFAOYSA-N
XLogP2.48
TPSA87.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.31
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(3,4-dimethoxyphenyl)-4-methoxypyridine-2-carboxylic acid
CID 125488706
benzyl carbamate;4-methoxy-6-(4-methylphenyl)pyridine-2-carboxylic acid
CID 20537523
N-[(3,5-dimethoxyphenyl)methyl]-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 46098754
4-[4-(3,4,5-trimethoxyphenyl)phenyl]benzoic acid
CID 11439916
5,7-dimethoxyquinoline-2,4-dicarboxylic acid
CID 11000344
6-(3-hydroxyprop-1-ynyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylic acid
CID 69111128
6-(3-hydroxypropyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylic acid
CID 69111148
4-[4-(4-methoxyphenyl)phenyl]-5-(3,4,5-trimethoxyphenyl)-2H-triazole
CID 59430230
2-oxo-2-[[4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-yl]amino]acetic acid
CID 13177608
4-(3,4,5-trimethoxyanilino)pyridine-2-carboxylic acid
CID 146673906
N-[8-methoxy-4-methyl-2-(3,4,5-trimethoxyphenyl)quinolin-5-yl]acetamide
CID 169421100
N-propan-2-yl-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 29198652

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-(3,4,5-trimethoxyphenyl)pyridine-2-carboxylic acid?
The IUPAC name of 4-methoxy-6-(3,4,5-trimethoxyphenyl)pyridine-2-carboxylic acid (CID 12785004) is 4-methoxy-6-(3,4,5-trimethoxyphenyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 4-methoxy-6-(3,4,5-trimethoxyphenyl)pyridine-2-carboxylic acid?
The canonical SMILES for 4-methoxy-6-(3,4,5-trimethoxyphenyl)pyridine-2-carboxylic acid is COc1cc(C(=O)O)nc(-c2cc(OC)c(OC)c(OC)c2)c1.
What is the InChIKey of 4-methoxy-6-(3,4,5-trimethoxyphenyl)pyridine-2-carboxylic acid?
The InChIKey is UPSNIZUBIQNSEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO6/c1-20-10-7-11(17-12(8-10)16(18)19)9-5-13(21-2)15(23-4)14(6-9)22-3/h5-8H,1-4H3,(H,18,19).
What are the key properties of 4-methoxy-6-(3,4,5-trimethoxyphenyl)pyridine-2-carboxylic acid?
4-methoxy-6-(3,4,5-trimethoxyphenyl)pyridine-2-carboxylic acid has a molecular weight of 319.31 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-(3,4,5-trimethoxyphenyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 12785004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).