2-[2-amino-6-cyano-5-(trifluoromethoxy)-3-pyridinyl]acetic acid

C9H6F3N3O3 — CID 133094812

IUPAC2-[2-amino-6-cyano-5-(trifluoromethoxy)-3-pyridinyl]acetic acid
SMILESN#Cc1nc(N)c(CC(=O)O)cc1OC(F)(F)F
InChIInChI=1S/C9H6F3N3O3/c10-9(11,12)18-6-1-4(2-7(16)17)8(14)15-5(6)3-13/h1H,2H2,(H2,14,15)(H,16,17)
InChIKeyXQMGNJSLIWLHIP-UHFFFAOYSA-N
MW261.16 g/mol
LogP1.06
Rot. Bonds3

About 2-[2-amino-6-cyano-5-(trifluoromethoxy)-3-pyridinyl]acetic acid

2-[2-amino-6-cyano-5-(trifluoromethoxy)-3-pyridinyl]acetic acid (PubChem CID 133094812) has the molecular formula C9H6F3N3O3 and a molecular weight of 261.16 g/mol. Its IUPAC name is 2-[2-amino-6-cyano-5-(trifluoromethoxy)-3-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[2-amino-6-cyano-5-(trifluoromethoxy)-3-pyridinyl]acetic acid
PubChem CID133094812
Molecular FormulaC9H6F3N3O3
Molecular Weight261.16 g/mol
Exact Mass261.04
IUPAC Name2-[2-amino-6-cyano-5-(trifluoromethoxy)-3-pyridinyl]acetic acid
SMILESN#Cc1nc(N)c(CC(=O)O)cc1OC(F)(F)F
InChIInChI=1S/C9H6F3N3O3/c10-9(11,12)18-6-1-4(2-7(16)17)8(14)15-5(6)3-13/h1H,2H2,(H2,14,15)(H,16,17)
InChIKeyXQMGNJSLIWLHIP-UHFFFAOYSA-N
XLogP1.06
TPSA109.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.16
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-amino-6-(aminomethyl)-5-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 119025293
methyl 2-amino-6-cyano-5-(trifluoromethoxy)pyridine-3-carboxylate
CID 133096940
3-amino-6-cyano-5-(trifluoromethoxy)pyridine-2-carboxamide
CID 133095988
2-[2-cyano-6-(difluoromethyl)-4-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 119014377
5-amino-6-(chloromethyl)-3-(trifluoromethoxy)pyridine-2-carbonitrile
CID 131312179
2-[4-cyano-2-sulfanyl-5-(trifluoromethoxy)phenyl]acetic acid
CID 118816556
5-amino-6-formyl-3-(trifluoromethoxy)pyridine-2-carbonitrile
CID 133095987
2-[2-amino-6-(fluoromethyl)-4-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 119003450
2-[4-amino-3-cyano-5-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 118810865
2-[3-amino-4-cyano-5-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 133095290
ethyl 5-amino-6-cyano-4-(trifluoromethoxy)pyridine-2-carboxylate
CID 133096570
2-[4-cyano-5-methyl-2-(trifluoromethoxy)phenyl]acetic acid
CID 135743465

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-6-cyano-5-(trifluoromethoxy)-3-pyridinyl]acetic acid?
The IUPAC name of 2-[2-amino-6-cyano-5-(trifluoromethoxy)-3-pyridinyl]acetic acid (CID 133094812) is 2-[2-amino-6-cyano-5-(trifluoromethoxy)-3-pyridinyl]acetic acid.
What is the SMILES notation for 2-[2-amino-6-cyano-5-(trifluoromethoxy)-3-pyridinyl]acetic acid?
The canonical SMILES for 2-[2-amino-6-cyano-5-(trifluoromethoxy)-3-pyridinyl]acetic acid is N#Cc1nc(N)c(CC(=O)O)cc1OC(F)(F)F.
What is the InChIKey of 2-[2-amino-6-cyano-5-(trifluoromethoxy)-3-pyridinyl]acetic acid?
The InChIKey is XQMGNJSLIWLHIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F3N3O3/c10-9(11,12)18-6-1-4(2-7(16)17)8(14)15-5(6)3-13/h1H,2H2,(H2,14,15)(H,16,17).
What are the key properties of 2-[2-amino-6-cyano-5-(trifluoromethoxy)-3-pyridinyl]acetic acid?
2-[2-amino-6-cyano-5-(trifluoromethoxy)-3-pyridinyl]acetic acid has a molecular weight of 261.16 g/mol, XLogP of 1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-6-cyano-5-(trifluoromethoxy)-3-pyridinyl]acetic acid is sourced from PubChem (CID 133094812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).