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

C10H5F5N2O2 — CID 118850473

IUPAC2-[4-cyano-3-(difluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]acetic acid
SMILESN#Cc1cc(C(F)(F)F)nc(CC(=O)O)c1C(F)F
InChIInChI=1S/C10H5F5N2O2/c11-9(12)8-4(3-16)1-6(10(13,14)15)17-5(8)2-7(18)19/h1,9H,2H2,(H,18,19)
InChIKeyWEBXLCMWEFPNBB-UHFFFAOYSA-N
MW280.15 g/mol
LogP2.54
Rot. Bonds3

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

2-[4-cyano-3-(difluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]acetic acid (PubChem CID 118850473) has the molecular formula C10H5F5N2O2 and a molecular weight of 280.15 g/mol. Its IUPAC name is 2-[4-cyano-3-(difluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[4-cyano-3-(difluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]acetic acid
PubChem CID118850473
Molecular FormulaC10H5F5N2O2
Molecular Weight280.15 g/mol
Exact Mass280.03
IUPAC Name2-[4-cyano-3-(difluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]acetic acid
SMILESN#Cc1cc(C(F)(F)F)nc(CC(=O)O)c1C(F)F
InChIInChI=1S/C10H5F5N2O2/c11-9(12)8-4(3-16)1-6(10(13,14)15)17-5(8)2-7(18)19/h1,9H,2H2,(H,18,19)
InChIKeyWEBXLCMWEFPNBB-UHFFFAOYSA-N
XLogP2.54
TPSA73.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.15
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-cyano-3-(difluoromethyl)-6-nitro-2-pyridinyl]acetic acid
CID 133106698
2-[3-(difluoromethyl)-2-fluoro-6-(trifluoromethyl)-4-pyridinyl]acetic acid
CID 133103853
2-[2-chloro-3-(difluoromethyl)-6-(trifluoromethyl)-4-pyridinyl]acetic acid
CID 119019464
2-[6-cyano-3-(difluoromethyl)-4-iodo-2-pyridinyl]acetic acid
CID 130077696
2-(difluoromethyl)-3-hydroxy-6-(trifluoromethyl)pyridine-4-carbonitrile
CID 118827552
2-[6-bromo-3-(difluoromethyl)-4-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 134685323
2-[3-(difluoromethyl)-6-iodo-4-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 133100106
methyl 2-[4-cyano-3-(difluoromethyl)-6-methyl-2-pyridinyl]acetate
CID 133107710
2-(difluoromethyl)-3-formyl-6-(trifluoromethyl)pyridine-4-carbonitrile
CID 133106254
2-[2-cyano-5-(difluoromethyl)-4-(trifluoromethyl)phenyl]acetic acid
CID 119020913
methyl 2-[6-bromo-4-cyano-3-(difluoromethyl)-2-pyridinyl]acetate
CID 134685224
2-[2-(chloromethyl)-4-(difluoromethyl)-6-(trifluoromethyl)-3-pyridinyl]acetic acid
CID 118843963

Frequently Asked Questions

What is the IUPAC name of 2-[4-cyano-3-(difluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]acetic acid?
The IUPAC name of 2-[4-cyano-3-(difluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]acetic acid (CID 118850473) is 2-[4-cyano-3-(difluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]acetic acid.
What is the SMILES notation for 2-[4-cyano-3-(difluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]acetic acid?
The canonical SMILES for 2-[4-cyano-3-(difluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]acetic acid is N#Cc1cc(C(F)(F)F)nc(CC(=O)O)c1C(F)F.
What is the InChIKey of 2-[4-cyano-3-(difluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]acetic acid?
The InChIKey is WEBXLCMWEFPNBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F5N2O2/c11-9(12)8-4(3-16)1-6(10(13,14)15)17-5(8)2-7(18)19/h1,9H,2H2,(H,18,19).
What are the key properties of 2-[4-cyano-3-(difluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]acetic acid?
2-[4-cyano-3-(difluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]acetic acid has a molecular weight of 280.15 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-cyano-3-(difluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]acetic acid is sourced from PubChem (CID 118850473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).