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

C8H6F3NO2 — CID 118846863

IUPAC4-(difluoromethyl)-6-fluoro-5-methylpyridine-2-carboxylic acid
SMILESCc1c(C(F)F)cc(C(=O)O)nc1F
InChIInChI=1S/C8H6F3NO2/c1-3-4(6(9)10)2-5(8(13)14)12-7(3)11/h2,6H,1H3,(H,13,14)
InChIKeyJGRFXYJGYDCRPG-UHFFFAOYSA-N
MW205.13 g/mol
LogP2.16
Rot. Bonds2

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

4-(difluoromethyl)-6-fluoro-5-methylpyridine-2-carboxylic acid (PubChem CID 118846863) has the molecular formula C8H6F3NO2 and a molecular weight of 205.13 g/mol. Its IUPAC name is 4-(difluoromethyl)-6-fluoro-5-methylpyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-(difluoromethyl)-6-fluoro-5-methylpyridine-2-carboxylic acid
PubChem CID118846863
Molecular FormulaC8H6F3NO2
Molecular Weight205.13 g/mol
Exact Mass205.04
IUPAC Name4-(difluoromethyl)-6-fluoro-5-methylpyridine-2-carboxylic acid
SMILESCc1c(C(F)F)cc(C(=O)O)nc1F
InChIInChI=1S/C8H6F3NO2/c1-3-4(6(9)10)2-5(8(13)14)12-7(3)11/h2,6H,1H3,(H,13,14)
InChIKeyJGRFXYJGYDCRPG-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

Computed Properties (RDKit)

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

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Related Compounds

5-(chloromethyl)-4-(difluoromethyl)-6-fluoropyridine-2-carboxylic acid
CID 130082308
5-(difluoromethyl)-6-fluoropyridine-2-carboxylic acid
CID 130096479
4-(difluoromethyl)-6-methyl-5-(trifluoromethyl)pyridine-2-carboxylic acid
CID 118846473
4-(difluoromethyl)-5-methylpyridine-2-carboxylic acid
CID 118852266
4-bromo-5-(difluoromethyl)-6-fluoropyridine-2-carboxylic acid
CID 118806357
4-(difluoromethyl)-5,6-dimethoxypyridine-2-carboxylic acid
CID 118828805
4-(difluoromethyl)-5-iodo-6-methoxypyridine-2-carboxylic acid
CID 118818405
4-(difluoromethyl)-6-methylpyridine-2-carboxylic acid
CID 118846293
6-chloro-4-(difluoromethyl)-5-methylpyridine-2-carboxamide
CID 118990312
4-(difluoromethyl)-5,6-difluoropyridine-2-carboxamide
CID 119022721
5-chloro-4-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carboxylic acid
CID 134675155
3-bromo-5-(difluoromethyl)-6-methylpyridine-2-carboxylic acid
CID 130069422

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-6-fluoro-5-methylpyridine-2-carboxylic acid?
The IUPAC name of 4-(difluoromethyl)-6-fluoro-5-methylpyridine-2-carboxylic acid (CID 118846863) is 4-(difluoromethyl)-6-fluoro-5-methylpyridine-2-carboxylic acid.
What is the SMILES notation for 4-(difluoromethyl)-6-fluoro-5-methylpyridine-2-carboxylic acid?
The canonical SMILES for 4-(difluoromethyl)-6-fluoro-5-methylpyridine-2-carboxylic acid is Cc1c(C(F)F)cc(C(=O)O)nc1F.
What is the InChIKey of 4-(difluoromethyl)-6-fluoro-5-methylpyridine-2-carboxylic acid?
The InChIKey is JGRFXYJGYDCRPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3NO2/c1-3-4(6(9)10)2-5(8(13)14)12-7(3)11/h2,6H,1H3,(H,13,14).
What are the key properties of 4-(difluoromethyl)-6-fluoro-5-methylpyridine-2-carboxylic acid?
4-(difluoromethyl)-6-fluoro-5-methylpyridine-2-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)-6-fluoro-5-methylpyridine-2-carboxylic acid is sourced from PubChem (CID 118846863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).