6-chloro-2-methoxy-4-methylpyridine-3-carboxylic acid

C8H8ClNO3 — CID 707652

IUPAC6-chloro-2-methoxy-4-methylpyridine-3-carboxylic acid
SMILESCOc1nc(Cl)cc(C)c1C(=O)O
InChIInChI=1S/C8H8ClNO3/c1-4-3-5(9)10-7(13-2)6(4)8(11)12/h3H,1-2H3,(H,11,12)
InChIKeyVPIZYXHKFQXDQK-UHFFFAOYSA-N
MW201.61 g/mol
LogP1.75
Rot. Bonds2

About 6-chloro-2-methoxy-4-methylpyridine-3-carboxylic acid

6-chloro-2-methoxy-4-methylpyridine-3-carboxylic acid (PubChem CID 707652) has the molecular formula C8H8ClNO3 and a molecular weight of 201.61 g/mol. Its IUPAC name is 6-chloro-2-methoxy-4-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-chloro-2-methoxy-4-methylpyridine-3-carboxylic acid
PubChem CID707652
Molecular FormulaC8H8ClNO3
Molecular Weight201.61 g/mol
Exact Mass201.02
IUPAC Name6-chloro-2-methoxy-4-methylpyridine-3-carboxylic acid
SMILESCOc1nc(Cl)cc(C)c1C(=O)O
InChIInChI=1S/C8H8ClNO3/c1-4-3-5(9)10-7(13-2)6(4)8(11)12/h3H,1-2H3,(H,11,12)
InChIKeyVPIZYXHKFQXDQK-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-methoxy-4-methylpyridine-3-carboxylic acid?
The IUPAC name of 6-chloro-2-methoxy-4-methylpyridine-3-carboxylic acid (CID 707652) is 6-chloro-2-methoxy-4-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 6-chloro-2-methoxy-4-methylpyridine-3-carboxylic acid?
The canonical SMILES for 6-chloro-2-methoxy-4-methylpyridine-3-carboxylic acid is COc1nc(Cl)cc(C)c1C(=O)O.
What is the InChIKey of 6-chloro-2-methoxy-4-methylpyridine-3-carboxylic acid?
The InChIKey is VPIZYXHKFQXDQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClNO3/c1-4-3-5(9)10-7(13-2)6(4)8(11)12/h3H,1-2H3,(H,11,12).
What are the key properties of 6-chloro-2-methoxy-4-methylpyridine-3-carboxylic acid?
6-chloro-2-methoxy-4-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 6-chloro-2-methoxy-4-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 707652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).