5-chloro-4-methoxy-6-methylpyridine-3-carboxylic acid

C8H8ClNO3 — CID 91254226

IUPAC5-chloro-4-methoxy-6-methylpyridine-3-carboxylic acid
SMILESCOc1c(C(=O)O)cnc(C)c1Cl
InChIInChI=1S/C8H8ClNO3/c1-4-6(9)7(13-2)5(3-10-4)8(11)12/h3H,1-2H3,(H,11,12)
InChIKeyMAGFFSKOSPTJHD-UHFFFAOYSA-N
MW201.61 g/mol
LogP1.75
Rot. Bonds2

About 5-chloro-4-methoxy-6-methylpyridine-3-carboxylic acid

5-chloro-4-methoxy-6-methylpyridine-3-carboxylic acid (PubChem CID 91254226) has the molecular formula C8H8ClNO3 and a molecular weight of 201.61 g/mol. Its IUPAC name is 5-chloro-4-methoxy-6-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-chloro-4-methoxy-6-methylpyridine-3-carboxylic acid
PubChem CID91254226
Molecular FormulaC8H8ClNO3
Molecular Weight201.61 g/mol
Exact Mass201.02
IUPAC Name5-chloro-4-methoxy-6-methylpyridine-3-carboxylic acid
SMILESCOc1c(C(=O)O)cnc(C)c1Cl
InChIInChI=1S/C8H8ClNO3/c1-4-6(9)7(13-2)5(3-10-4)8(11)12/h3H,1-2H3,(H,11,12)
InChIKeyMAGFFSKOSPTJHD-UHFFFAOYSA-N
XLogP1.75
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.61
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-5-methoxy-6-methylpyridine-3-carboxylic acid
CID 22937797
4-bromo-5-chloro-6-methylpyridine-3-carboxylic acid
CID 71757352
2-chloro-3-methoxyterephthalic acid
CID 126601706
4,5,7-trichloro-8-methoxyquinoline-3-carboxylic acid
CID 141084525
5-methoxy-6-methylpyridine-3,4-dicarboxamide
CID 154194091
3-chloro-5-(chloromethyl)-4-methoxy-2-methylpyridine
CID 58201184
methyl 4-chloro-5,6-dimethylpyridine-3-carboxylate
CID 154578056
4-methoxy-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid
CID 126970622
4,5-dimethoxypyridine-3-carboxylic acid
CID 54199038
4-chloro-8-methoxyquinoline-3-carboxylic acid;hydrochloride
CID 67617550
4-methoxy-5-methoxycarbonylpyridine-3-carboxylic acid
CID 22019195
2-(methoxyamino)-4-methylpyrimidine-5-carboxylic acid
CID 90980975

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-methoxy-6-methylpyridine-3-carboxylic acid?
The IUPAC name of 5-chloro-4-methoxy-6-methylpyridine-3-carboxylic acid (CID 91254226) is 5-chloro-4-methoxy-6-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 5-chloro-4-methoxy-6-methylpyridine-3-carboxylic acid?
The canonical SMILES for 5-chloro-4-methoxy-6-methylpyridine-3-carboxylic acid is COc1c(C(=O)O)cnc(C)c1Cl.
What is the InChIKey of 5-chloro-4-methoxy-6-methylpyridine-3-carboxylic acid?
The InChIKey is MAGFFSKOSPTJHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClNO3/c1-4-6(9)7(13-2)5(3-10-4)8(11)12/h3H,1-2H3,(H,11,12).
What are the key properties of 5-chloro-4-methoxy-6-methylpyridine-3-carboxylic acid?
5-chloro-4-methoxy-6-methylpyridine-3-carboxylic acid has a molecular weight of 201.61 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-methoxy-6-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 91254226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).