3-(difluoromethoxy)-4-methylpyridine-2-carboxylic acid

C8H7F2NO3 — CID 118326443

IUPAC3-(difluoromethoxy)-4-methylpyridine-2-carboxylic acid
SMILESCc1ccnc(C(=O)O)c1OC(F)F
InChIInChI=1S/C8H7F2NO3/c1-4-2-3-11-5(7(12)13)6(4)14-8(9)10/h2-3,8H,1H3,(H,12,13)
InChIKeyVXGRGRBPHPDTMV-UHFFFAOYSA-N
MW203.14 g/mol
LogP1.69
Rot. Bonds3

About 3-(difluoromethoxy)-4-methylpyridine-2-carboxylic acid

3-(difluoromethoxy)-4-methylpyridine-2-carboxylic acid (PubChem CID 118326443) has the molecular formula C8H7F2NO3 and a molecular weight of 203.14 g/mol. Its IUPAC name is 3-(difluoromethoxy)-4-methylpyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-(difluoromethoxy)-4-methylpyridine-2-carboxylic acid
PubChem CID118326443
Molecular FormulaC8H7F2NO3
Molecular Weight203.14 g/mol
Exact Mass203.04
IUPAC Name3-(difluoromethoxy)-4-methylpyridine-2-carboxylic acid
SMILESCc1ccnc(C(=O)O)c1OC(F)F
InChIInChI=1S/C8H7F2NO3/c1-4-2-3-11-5(7(12)13)6(4)14-8(9)10/h2-3,8H,1H3,(H,12,13)
InChIKeyVXGRGRBPHPDTMV-UHFFFAOYSA-N
XLogP1.69
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.14
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-4-methylpyridine-2-carboxylic acid?
The IUPAC name of 3-(difluoromethoxy)-4-methylpyridine-2-carboxylic acid (CID 118326443) is 3-(difluoromethoxy)-4-methylpyridine-2-carboxylic acid.
What is the SMILES notation for 3-(difluoromethoxy)-4-methylpyridine-2-carboxylic acid?
The canonical SMILES for 3-(difluoromethoxy)-4-methylpyridine-2-carboxylic acid is Cc1ccnc(C(=O)O)c1OC(F)F.
What is the InChIKey of 3-(difluoromethoxy)-4-methylpyridine-2-carboxylic acid?
The InChIKey is VXGRGRBPHPDTMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F2NO3/c1-4-2-3-11-5(7(12)13)6(4)14-8(9)10/h2-3,8H,1H3,(H,12,13).
What are the key properties of 3-(difluoromethoxy)-4-methylpyridine-2-carboxylic acid?
3-(difluoromethoxy)-4-methylpyridine-2-carboxylic acid has a molecular weight of 203.14 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-4-methylpyridine-2-carboxylic acid is sourced from PubChem (CID 118326443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).