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

C10H5F5N2O3 — CID 119014377

IUPAC2-[2-cyano-6-(difluoromethyl)-4-(trifluoromethoxy)-3-pyridinyl]acetic acid
SMILESN#Cc1nc(C(F)F)cc(OC(F)(F)F)c1CC(=O)O
InChIInChI=1S/C10H5F5N2O3/c11-9(12)5-2-7(20-10(13,14)15)4(1-8(18)19)6(3-16)17-5/h2,9H,1H2,(H,18,19)
InChIKeyIQFITJFBRBXJJD-UHFFFAOYSA-N
MW296.15 g/mol
LogP2.42
Rot. Bonds4

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

2-[2-cyano-6-(difluoromethyl)-4-(trifluoromethoxy)-3-pyridinyl]acetic acid (PubChem CID 119014377) has the molecular formula C10H5F5N2O3 and a molecular weight of 296.15 g/mol. Its IUPAC name is 2-[2-cyano-6-(difluoromethyl)-4-(trifluoromethoxy)-3-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[2-cyano-6-(difluoromethyl)-4-(trifluoromethoxy)-3-pyridinyl]acetic acid
PubChem CID119014377
Molecular FormulaC10H5F5N2O3
Molecular Weight296.15 g/mol
Exact Mass296.02
IUPAC Name2-[2-cyano-6-(difluoromethyl)-4-(trifluoromethoxy)-3-pyridinyl]acetic acid
SMILESN#Cc1nc(C(F)F)cc(OC(F)(F)F)c1CC(=O)O
InChIInChI=1S/C10H5F5N2O3/c11-9(12)5-2-7(20-10(13,14)15)4(1-8(18)19)6(3-16)17-5/h2,9H,1H2,(H,18,19)
InChIKeyIQFITJFBRBXJJD-UHFFFAOYSA-N
XLogP2.42
TPSA83.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.15
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[6-(difluoromethyl)-2-iodo-4-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 134670201
2-[3-(aminomethyl)-6-(difluoromethyl)-4-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 134661435
2-[3-(bromomethyl)-6-(difluoromethyl)-4-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 134673140
2-[2-amino-6-cyano-5-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 133094812
2-[2-bromo-6-(difluoromethyl)-4-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 119022396
2-[6-(chloromethyl)-2-(difluoromethyl)-4-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 134670663
2-[3-(aminomethyl)-6-(difluoromethyl)-4-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 134672673
2-[2-cyano-4-(difluoromethyl)-6-iodo-3-pyridinyl]acetic acid
CID 119000555
2-[3-(bromomethyl)-6-(difluoromethyl)-4-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 134671001
2-amino-6-(difluoromethyl)-4-(trifluoromethoxy)pyridine-3-carbonitrile
CID 119001123
6-(difluoromethyl)-3-(hydroxymethyl)-4-nitropyridine-2-carbonitrile
CID 130078685
methyl 2-[2-cyano-6-(difluoromethyl)-3-(trifluoromethyl)-4-pyridinyl]acetate
CID 133106141

Frequently Asked Questions

What is the IUPAC name of 2-[2-cyano-6-(difluoromethyl)-4-(trifluoromethoxy)-3-pyridinyl]acetic acid?
The IUPAC name of 2-[2-cyano-6-(difluoromethyl)-4-(trifluoromethoxy)-3-pyridinyl]acetic acid (CID 119014377) is 2-[2-cyano-6-(difluoromethyl)-4-(trifluoromethoxy)-3-pyridinyl]acetic acid.
What is the SMILES notation for 2-[2-cyano-6-(difluoromethyl)-4-(trifluoromethoxy)-3-pyridinyl]acetic acid?
The canonical SMILES for 2-[2-cyano-6-(difluoromethyl)-4-(trifluoromethoxy)-3-pyridinyl]acetic acid is N#Cc1nc(C(F)F)cc(OC(F)(F)F)c1CC(=O)O.
What is the InChIKey of 2-[2-cyano-6-(difluoromethyl)-4-(trifluoromethoxy)-3-pyridinyl]acetic acid?
The InChIKey is IQFITJFBRBXJJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F5N2O3/c11-9(12)5-2-7(20-10(13,14)15)4(1-8(18)19)6(3-16)17-5/h2,9H,1H2,(H,18,19).
What are the key properties of 2-[2-cyano-6-(difluoromethyl)-4-(trifluoromethoxy)-3-pyridinyl]acetic acid?
2-[2-cyano-6-(difluoromethyl)-4-(trifluoromethoxy)-3-pyridinyl]acetic acid has a molecular weight of 296.15 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-cyano-6-(difluoromethyl)-4-(trifluoromethoxy)-3-pyridinyl]acetic acid is sourced from PubChem (CID 119014377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).