5-(difluoromethyl)-6-methoxy-4-methylpyridine-2-carboxylic acid

C9H9F2NO3 — CID 130087971

IUPAC5-(difluoromethyl)-6-methoxy-4-methylpyridine-2-carboxylic acid
SMILESCOc1nc(C(=O)O)cc(C)c1C(F)F
InChIInChI=1S/C9H9F2NO3/c1-4-3-5(9(13)14)12-8(15-2)6(4)7(10)11/h3,7H,1-2H3,(H,13,14)
InChIKeyLOGCBBFEDLGJLJ-UHFFFAOYSA-N
MW217.17 g/mol
LogP2.03
Rot. Bonds3

About 5-(difluoromethyl)-6-methoxy-4-methylpyridine-2-carboxylic acid

5-(difluoromethyl)-6-methoxy-4-methylpyridine-2-carboxylic acid (PubChem CID 130087971) has the molecular formula C9H9F2NO3 and a molecular weight of 217.17 g/mol. Its IUPAC name is 5-(difluoromethyl)-6-methoxy-4-methylpyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-(difluoromethyl)-6-methoxy-4-methylpyridine-2-carboxylic acid
PubChem CID130087971
Molecular FormulaC9H9F2NO3
Molecular Weight217.17 g/mol
Exact Mass217.06
IUPAC Name5-(difluoromethyl)-6-methoxy-4-methylpyridine-2-carboxylic acid
SMILESCOc1nc(C(=O)O)cc(C)c1C(F)F
InChIInChI=1S/C9H9F2NO3/c1-4-3-5(9(13)14)12-8(15-2)6(4)7(10)11/h3,7H,1-2H3,(H,13,14)
InChIKeyLOGCBBFEDLGJLJ-UHFFFAOYSA-N
XLogP2.03
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.17
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-6-methoxy-4-methylpyridine-2-carboxylic acid?
The IUPAC name of 5-(difluoromethyl)-6-methoxy-4-methylpyridine-2-carboxylic acid (CID 130087971) is 5-(difluoromethyl)-6-methoxy-4-methylpyridine-2-carboxylic acid.
What is the SMILES notation for 5-(difluoromethyl)-6-methoxy-4-methylpyridine-2-carboxylic acid?
The canonical SMILES for 5-(difluoromethyl)-6-methoxy-4-methylpyridine-2-carboxylic acid is COc1nc(C(=O)O)cc(C)c1C(F)F.
What is the InChIKey of 5-(difluoromethyl)-6-methoxy-4-methylpyridine-2-carboxylic acid?
The InChIKey is LOGCBBFEDLGJLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2NO3/c1-4-3-5(9(13)14)12-8(15-2)6(4)7(10)11/h3,7H,1-2H3,(H,13,14).
What are the key properties of 5-(difluoromethyl)-6-methoxy-4-methylpyridine-2-carboxylic acid?
5-(difluoromethyl)-6-methoxy-4-methylpyridine-2-carboxylic acid has a molecular weight of 217.17 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-6-methoxy-4-methylpyridine-2-carboxylic acid is sourced from PubChem (CID 130087971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).