4-(difluoromethyl)-5-fluoro-2-methylpyridine-3-carboxylic acid

C8H6F3NO2 — CID 118812572

IUPAC4-(difluoromethyl)-5-fluoro-2-methylpyridine-3-carboxylic acid
SMILESCc1ncc(F)c(C(F)F)c1C(=O)O
InChIInChI=1S/C8H6F3NO2/c1-3-5(8(13)14)6(7(10)11)4(9)2-12-3/h2,7H,1H3,(H,13,14)
InChIKeyZHGMSTGSBRFDEB-UHFFFAOYSA-N
MW205.13 g/mol
LogP2.16
Rot. Bonds2

About 4-(difluoromethyl)-5-fluoro-2-methylpyridine-3-carboxylic acid

4-(difluoromethyl)-5-fluoro-2-methylpyridine-3-carboxylic acid (PubChem CID 118812572) has the molecular formula C8H6F3NO2 and a molecular weight of 205.13 g/mol. Its IUPAC name is 4-(difluoromethyl)-5-fluoro-2-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-(difluoromethyl)-5-fluoro-2-methylpyridine-3-carboxylic acid
PubChem CID118812572
Molecular FormulaC8H6F3NO2
Molecular Weight205.13 g/mol
Exact Mass205.04
IUPAC Name4-(difluoromethyl)-5-fluoro-2-methylpyridine-3-carboxylic acid
SMILESCc1ncc(F)c(C(F)F)c1C(=O)O
InChIInChI=1S/C8H6F3NO2/c1-3-5(8(13)14)6(7(10)11)4(9)2-12-3/h2,7H,1H3,(H,13,14)
InChIKeyZHGMSTGSBRFDEB-UHFFFAOYSA-N
XLogP2.16
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.13
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-5-fluoro-2-methylpyridine-3-carboxylic acid?
The IUPAC name of 4-(difluoromethyl)-5-fluoro-2-methylpyridine-3-carboxylic acid (CID 118812572) is 4-(difluoromethyl)-5-fluoro-2-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 4-(difluoromethyl)-5-fluoro-2-methylpyridine-3-carboxylic acid?
The canonical SMILES for 4-(difluoromethyl)-5-fluoro-2-methylpyridine-3-carboxylic acid is Cc1ncc(F)c(C(F)F)c1C(=O)O.
What is the InChIKey of 4-(difluoromethyl)-5-fluoro-2-methylpyridine-3-carboxylic acid?
The InChIKey is ZHGMSTGSBRFDEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3NO2/c1-3-5(8(13)14)6(7(10)11)4(9)2-12-3/h2,7H,1H3,(H,13,14).
What are the key properties of 4-(difluoromethyl)-5-fluoro-2-methylpyridine-3-carboxylic acid?
4-(difluoromethyl)-5-fluoro-2-methylpyridine-3-carboxylic acid has a molecular weight of 205.13 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-5-fluoro-2-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 118812572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).