4-methoxypyridine-3-carboxylate

C7H6NO3- — CID 26119064

IUPAC4-methoxypyridine-3-carboxylate
SMILESCOc1ccncc1C(=O)[O-]
InChIInChI=1S/C7H7NO3/c1-11-6-2-3-8-4-5(6)7(9)10/h2-4H,1H3,(H,9,10)/p-1
InChIKeyDXFMVOIWKXLAQF-UHFFFAOYSA-M
MW152.13 g/mol
LogP-0.55
Rot. Bonds2

About 4-methoxypyridine-3-carboxylate

4-methoxypyridine-3-carboxylate (PubChem CID 26119064) has the molecular formula C7H6NO3- and a molecular weight of 152.13 g/mol. Its IUPAC name is 4-methoxypyridine-3-carboxylate.

Molecular Properties

Compound Name4-methoxypyridine-3-carboxylate
PubChem CID26119064
Molecular FormulaC7H6NO3-
Molecular Weight152.13 g/mol
Exact Mass152.04
IUPAC Name4-methoxypyridine-3-carboxylate
SMILESCOc1ccncc1C(=O)[O-]
InChIInChI=1S/C7H7NO3/c1-11-6-2-3-8-4-5(6)7(9)10/h2-4H,1H3,(H,9,10)/p-1
InChIKeyDXFMVOIWKXLAQF-UHFFFAOYSA-M
XLogP-0.55
TPSA62.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.13
LogP ≤ 5-0.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-methoxypyridine-3-carboxylate 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

formic acid;4-methoxypyridine-3-carboxamide
CID 67982292
(2S)-2-amino-1-(4-methoxy-3-pyridinyl)propan-1-one;hydrochloride
CID 178103167
2-methoxybenzoate;hydrochloride
CID 18793456
4-sulfidopyridine-3-carboxylate
CID 6946725
tert-butyl N-(4-methoxypyridine-3-carbonyl)carbamate
CID 155774608
4-(trideuteriomethoxy)pyridine-3-carboxamide
CID 90115030
(3-methoxy-4-pyridinyl) carbamate
CID 90285344
5-chloro-2-methoxybenzoate
CID 6933314
(4-methoxy-3-pyridinyl)-(9-thiabicyclo[3.3.1]nonan-3-yl)methanone
CID 171943461
2-(4-methoxy-3-pyridinyl)-2-methylpropanoic acid
CID 115009175
4-[(2-methoxyphenoxy)methyl]pyridine-3-carboxylic acid
CID 117212644
(4-methoxy-3-pyridinyl)-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone
CID 171943456

Frequently Asked Questions

What is the IUPAC name of 4-methoxypyridine-3-carboxylate?
The IUPAC name of 4-methoxypyridine-3-carboxylate (CID 26119064) is 4-methoxypyridine-3-carboxylate.
What is the SMILES notation for 4-methoxypyridine-3-carboxylate?
The canonical SMILES for 4-methoxypyridine-3-carboxylate is COc1ccncc1C(=O)[O-].
What is the InChIKey of 4-methoxypyridine-3-carboxylate?
The InChIKey is DXFMVOIWKXLAQF-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H7NO3/c1-11-6-2-3-8-4-5(6)7(9)10/h2-4H,1H3,(H,9,10)/p-1.
What are the key properties of 4-methoxypyridine-3-carboxylate?
4-methoxypyridine-3-carboxylate has a molecular weight of 152.13 g/mol, XLogP of -0.55, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxypyridine-3-carboxylate is sourced from PubChem (CID 26119064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).