2-(2,5-dimethoxyanilino)pyridine-3-carboxylate

C14H13N2O4- — CID 7130288

IUPAC2-(2,5-dimethoxyanilino)pyridine-3-carboxylate
SMILESCOc1ccc(OC)c(Nc2ncccc2C(=O)[O-])c1
InChIInChI=1S/C14H14N2O4/c1-19-9-5-6-12(20-2)11(8-9)16-13-10(14(17)18)4-3-7-15-13/h3-8H,1-2H3,(H,15,16)(H,17,18)/p-1
InChIKeyJDVGPSXRICKZCY-UHFFFAOYSA-M
MW273.27 g/mol
LogP1.21
Rot. Bonds5

About 2-(2,5-dimethoxyanilino)pyridine-3-carboxylate

2-(2,5-dimethoxyanilino)pyridine-3-carboxylate (PubChem CID 7130288) has the molecular formula C14H13N2O4- and a molecular weight of 273.27 g/mol. Its IUPAC name is 2-(2,5-dimethoxyanilino)pyridine-3-carboxylate.

Molecular Properties

Compound Name2-(2,5-dimethoxyanilino)pyridine-3-carboxylate
PubChem CID7130288
Molecular FormulaC14H13N2O4-
Molecular Weight273.27 g/mol
Exact Mass273.09
IUPAC Name2-(2,5-dimethoxyanilino)pyridine-3-carboxylate
SMILESCOc1ccc(OC)c(Nc2ncccc2C(=O)[O-])c1
InChIInChI=1S/C14H14N2O4/c1-19-9-5-6-12(20-2)11(8-9)16-13-10(14(17)18)4-3-7-15-13/h3-8H,1-2H3,(H,15,16)(H,17,18)/p-1
InChIKeyJDVGPSXRICKZCY-UHFFFAOYSA-M
XLogP1.21
TPSA83.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.27
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(5-fluoro-2-methoxyanilino)pyridine-3-carboxylic acid
CID 178064933
2-(2,5-dimethoxyanilino)pyridine-3-carbonitrile
CID 24691895
2-(2,5-dimethoxyanilino)-3-fluoropyridine-4-carboxylic acid
CID 105381770
2-[2-methoxy-5-(trifluoromethyl)anilino]pyridine-3-carboxylic acid
CID 178064922
1-[2-(5-chloro-2-methoxyanilino)-3-pyridinyl]prop-2-en-1-one
CID 178064932
2-(5-benzamido-2-methoxyanilino)pyridine-3-carboxylic acid
CID 178064937
4-N,6-N-bis(2,5-dimethoxyphenyl)-5-nitropyrimidine-4,6-diamine
CID 23494751
N'-[6-(2,5-dimethoxyanilino)-5-nitropyrimidin-4-yl]-2-methoxybenzohydrazide
CID 23494833
2-(4-butoxyanilino)pyridine-3-carboxylate
CID 7130496
N-[6-(2,5-dimethoxyanilino)-3-pyridinyl]pyridine-3-carboxamide
CID 113019982
N-(2,5-dimethoxyphenyl)-2-(5-methylthiophen-2-yl)pyridine-3-carboxamide
CID 46388701
2-(5-methoxy-2-propan-2-yloxyanilino)pyridine-3-diazonium chloride
CID 10313962

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethoxyanilino)pyridine-3-carboxylate?
The IUPAC name of 2-(2,5-dimethoxyanilino)pyridine-3-carboxylate (CID 7130288) is 2-(2,5-dimethoxyanilino)pyridine-3-carboxylate.
What is the SMILES notation for 2-(2,5-dimethoxyanilino)pyridine-3-carboxylate?
The canonical SMILES for 2-(2,5-dimethoxyanilino)pyridine-3-carboxylate is COc1ccc(OC)c(Nc2ncccc2C(=O)[O-])c1.
What is the InChIKey of 2-(2,5-dimethoxyanilino)pyridine-3-carboxylate?
The InChIKey is JDVGPSXRICKZCY-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H14N2O4/c1-19-9-5-6-12(20-2)11(8-9)16-13-10(14(17)18)4-3-7-15-13/h3-8H,1-2H3,(H,15,16)(H,17,18)/p-1.
What are the key properties of 2-(2,5-dimethoxyanilino)pyridine-3-carboxylate?
2-(2,5-dimethoxyanilino)pyridine-3-carboxylate has a molecular weight of 273.27 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethoxyanilino)pyridine-3-carboxylate is sourced from PubChem (CID 7130288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).