2-[4-(difluoromethyl)-6-methyl-2-(trifluoromethyl)-3-pyridinyl]acetic acid

C10H8F5NO2 — CID 118824053

IUPAC2-[4-(difluoromethyl)-6-methyl-2-(trifluoromethyl)-3-pyridinyl]acetic acid
SMILESCc1cc(C(F)F)c(CC(=O)O)c(C(F)(F)F)n1
InChIInChI=1S/C10H8F5NO2/c1-4-2-6(9(11)12)5(3-7(17)18)8(16-4)10(13,14)15/h2,9H,3H2,1H3,(H,17,18)
InChIKeyHWXRYRORSKMSRY-UHFFFAOYSA-N
MW269.17 g/mol
LogP2.97
Rot. Bonds3

About 2-[4-(difluoromethyl)-6-methyl-2-(trifluoromethyl)-3-pyridinyl]acetic acid

2-[4-(difluoromethyl)-6-methyl-2-(trifluoromethyl)-3-pyridinyl]acetic acid (PubChem CID 118824053) has the molecular formula C10H8F5NO2 and a molecular weight of 269.17 g/mol. Its IUPAC name is 2-[4-(difluoromethyl)-6-methyl-2-(trifluoromethyl)-3-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[4-(difluoromethyl)-6-methyl-2-(trifluoromethyl)-3-pyridinyl]acetic acid
PubChem CID118824053
Molecular FormulaC10H8F5NO2
Molecular Weight269.17 g/mol
Exact Mass269.05
IUPAC Name2-[4-(difluoromethyl)-6-methyl-2-(trifluoromethyl)-3-pyridinyl]acetic acid
SMILESCc1cc(C(F)F)c(CC(=O)O)c(C(F)(F)F)n1
InChIInChI=1S/C10H8F5NO2/c1-4-2-6(9(11)12)5(3-7(17)18)8(16-4)10(13,14)15/h2,9H,3H2,1H3,(H,17,18)
InChIKeyHWXRYRORSKMSRY-UHFFFAOYSA-N
XLogP2.97
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.17
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(difluoromethyl)-6-methyl-2-(trifluoromethyl)-3-pyridinyl]methanamine
CID 130088386
2-[4-(difluoromethyl)-3-fluoro-6-methyl-2-pyridinyl]acetic acid
CID 118846525
2-[6-amino-4-(difluoromethyl)-2-methyl-3-pyridinyl]acetic acid
CID 134664300
2-[2-(chloromethyl)-4-(difluoromethyl)-6-(trifluoromethyl)-3-pyridinyl]acetic acid
CID 118843963
4-(difluoromethyl)-6-methyl-3-(trifluoromethyl)pyridine-2-carboxylic acid
CID 118840954
2-[2-bromo-4-(difluoromethyl)-6-methoxy-3-pyridinyl]acetic acid
CID 119020607
2-[4-chloro-2-methyl-6-(trifluoromethyl)pyrimidin-5-yl]acetic acid
CID 18983895
2-[4-(difluoromethyl)-6-methyl-3-nitro-2-pyridinyl]acetic acid
CID 118839869
ethyl 2-[3-(difluoromethyl)-6-methyl-2-(trifluoromethyl)-4-pyridinyl]acetate
CID 171029313
[4-(difluoromethyl)-6-methoxy-2-(trifluoromethyl)-3-pyridinyl]methanamine
CID 133084898
2-[6-(difluoromethyl)-5-methoxy-2-(trifluoromethyl)-3-pyridinyl]acetic acid
CID 118820536
[4-(difluoromethyl)-2-fluoro-6-methyl-3-pyridinyl]methanamine
CID 130080910

Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethyl)-6-methyl-2-(trifluoromethyl)-3-pyridinyl]acetic acid?
The IUPAC name of 2-[4-(difluoromethyl)-6-methyl-2-(trifluoromethyl)-3-pyridinyl]acetic acid (CID 118824053) is 2-[4-(difluoromethyl)-6-methyl-2-(trifluoromethyl)-3-pyridinyl]acetic acid.
What is the SMILES notation for 2-[4-(difluoromethyl)-6-methyl-2-(trifluoromethyl)-3-pyridinyl]acetic acid?
The canonical SMILES for 2-[4-(difluoromethyl)-6-methyl-2-(trifluoromethyl)-3-pyridinyl]acetic acid is Cc1cc(C(F)F)c(CC(=O)O)c(C(F)(F)F)n1.
What is the InChIKey of 2-[4-(difluoromethyl)-6-methyl-2-(trifluoromethyl)-3-pyridinyl]acetic acid?
The InChIKey is HWXRYRORSKMSRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F5NO2/c1-4-2-6(9(11)12)5(3-7(17)18)8(16-4)10(13,14)15/h2,9H,3H2,1H3,(H,17,18).
What are the key properties of 2-[4-(difluoromethyl)-6-methyl-2-(trifluoromethyl)-3-pyridinyl]acetic acid?
2-[4-(difluoromethyl)-6-methyl-2-(trifluoromethyl)-3-pyridinyl]acetic acid has a molecular weight of 269.17 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethyl)-6-methyl-2-(trifluoromethyl)-3-pyridinyl]acetic acid is sourced from PubChem (CID 118824053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).