4-(difluoromethyl)-5-fluoro-6-methylpyridine-3-carboxylic acid

C8H6F3NO2 — CID 118828922

IUPAC4-(difluoromethyl)-5-fluoro-6-methylpyridine-3-carboxylic acid
SMILESCc1ncc(C(=O)O)c(C(F)F)c1F
InChIInChI=1S/C8H6F3NO2/c1-3-6(9)5(7(10)11)4(2-12-3)8(13)14/h2,7H,1H3,(H,13,14)
InChIKeyBCSDORAVEKYATQ-UHFFFAOYSA-N
MW205.13 g/mol
LogP2.16
Rot. Bonds2

About 4-(difluoromethyl)-5-fluoro-6-methylpyridine-3-carboxylic acid

4-(difluoromethyl)-5-fluoro-6-methylpyridine-3-carboxylic acid (PubChem CID 118828922) has the molecular formula C8H6F3NO2 and a molecular weight of 205.13 g/mol. Its IUPAC name is 4-(difluoromethyl)-5-fluoro-6-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-(difluoromethyl)-5-fluoro-6-methylpyridine-3-carboxylic acid
PubChem CID118828922
Molecular FormulaC8H6F3NO2
Molecular Weight205.13 g/mol
Exact Mass205.04
IUPAC Name4-(difluoromethyl)-5-fluoro-6-methylpyridine-3-carboxylic acid
SMILESCc1ncc(C(=O)O)c(C(F)F)c1F
InChIInChI=1S/C8H6F3NO2/c1-3-6(9)5(7(10)11)4(2-12-3)8(13)14/h2,7H,1H3,(H,13,14)
InChIKeyBCSDORAVEKYATQ-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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Related Compounds

6-amino-4-(difluoromethyl)-5-methylpyridine-3-carboxylic acid
CID 118995761
4-(difluoromethyl)-6-iodo-5-methylpyridine-3-carboxylic acid
CID 118835162
4-(difluoromethyl)-5-fluoro-2-methylpyridine-3-carboxylic acid
CID 118812572
6-bromo-5-(difluoromethyl)-4-fluoropyridine-3-carboxylic acid
CID 119015836
6-amino-5-(difluoromethyl)-4-fluoropyridine-3-carboxylic acid
CID 119006652
4-(difluoromethyl)-5-methyl-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 118829655
5-(difluoromethyl)-4,6-dimethylpyridine-3-carboxamide
CID 130101517
3-(difluoromethyl)-5-hydroxy-2-methylpyridine-4-carboxylic acid
CID 130083946
4-chloro-5-(difluoromethyl)-6-fluoropyridine-3-carboxylic acid
CID 118839306
4-amino-5-(difluoromethyl)-6-methylpyridine-3-carboxamide
CID 118818070
5-chloro-4-(difluoromethyl)-2-methylpyridine-3-carboxylic acid
CID 130074385
5-bromo-4-(difluoromethyl)-6-methylpyridine-3-carbonyl chloride
CID 130069553

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-5-fluoro-6-methylpyridine-3-carboxylic acid?
The IUPAC name of 4-(difluoromethyl)-5-fluoro-6-methylpyridine-3-carboxylic acid (CID 118828922) is 4-(difluoromethyl)-5-fluoro-6-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 4-(difluoromethyl)-5-fluoro-6-methylpyridine-3-carboxylic acid?
The canonical SMILES for 4-(difluoromethyl)-5-fluoro-6-methylpyridine-3-carboxylic acid is Cc1ncc(C(=O)O)c(C(F)F)c1F.
What is the InChIKey of 4-(difluoromethyl)-5-fluoro-6-methylpyridine-3-carboxylic acid?
The InChIKey is BCSDORAVEKYATQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3NO2/c1-3-6(9)5(7(10)11)4(2-12-3)8(13)14/h2,7H,1H3,(H,13,14).
What are the key properties of 4-(difluoromethyl)-5-fluoro-6-methylpyridine-3-carboxylic acid?
4-(difluoromethyl)-5-fluoro-6-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-6-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 118828922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).